CID 44614389

N-tetradecenoyl-l-homoserine lactone

Structural Information

Molecular Formula

C₁₈H₃₁NO₃

SMILES

CCCCCC/C=C\CCCCCC(=O)N[C@H]1CCOC1=O

InChI

InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,16H,2-6,9-15H2,1H3,(H,19,20)/b8-7-/t16-/m0/s1

InChIKey

CAUQHAIJBWAQIL-PTZVLDCSSA-N

Compound name

(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 309.2304 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

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]+	310.237676	181.8
[M+Na]+	332.219618	183.9
[M-H]-	308.223124	183.8
[M+NH4]+	327.264223	196.6
[M+K]+	348.193558	181.2
[M+H-H2O]+	292.227660	174.6
[M+HCOO]-	354.228601	201.4
[M+CH3COO]-	368.244251	208.3
[M+Na-2H]-	330.205066	180.4
[M]+	309.22985142	184.4
[M]-	309.23094858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe