PubChemLite - Cer(d14:2(4e,6e)/20:0) (C34H65NO3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O

InChI

InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h23,25,27,29,32-33,36-37H,3-22,24,26,28,30-31H2,1-2H3,(H,35,38)/b25-23+,29-27+/t32-,33+/m0/s1

InChIKey

YQZINSNQYJSGEU-AMOCAPSMSA-N

Compound name

N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]icosanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	536.50374	250.5
[M+Na]+	558.48568	256.9
[M-H]-	534.48918	238.4
[M+NH4]+	553.53028	248.0
[M+K]+	574.45962	256.4
[M+H-H2O]+	518.49372	248.2
[M+HCOO]-	580.49466	249.9
[M+CH3COO]-	594.51031	253.5
[M+Na-2H]-	556.47113	234.5
[M]+	535.49591	245.8
[M]-	535.49701	245.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.50374

250.5

[M+Na]+

558.48568

256.9

[M-H]-

534.48918

238.4

[M+NH4]+

553.53028

248.0

[M+K]+

574.45962

256.4

[M+H-H2O]+

518.49372

248.2

[M+HCOO]-

580.49466

249.9

[M+CH3COO]-

594.51031

253.5

[M+Na-2H]-

556.47113

234.5

[M]+

535.49591

245.8

[M]-

535.49701

245.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cer(d14:2(4e,6e)/20:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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