PubChemLite - Myristoyl glutamic acid (C19H35NO5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t16-/m0/s1

InChIKey

MTJZWYHTZFVEGI-INIZCTEOSA-N

Compound name

(2S)-2-(tetradecanoylamino)pentanedioic acid

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]+	358.25881	193.8
[M+Na]+	380.24075	193.6
[M-H]-	356.24425	188.9
[M+NH4]+	375.28535	200.8
[M+K]+	396.21469	191.1
[M+H-H2O]+	340.24879	186.5
[M+HCOO]-	402.24973	202.7
[M+CH3COO]-	416.26538	216.1
[M+Na-2H]-	378.22620	188.5
[M]+	357.25098	197.7
[M]-	357.25208	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.25881

193.8

[M+Na]+

380.24075

193.6

[M-H]-

356.24425

188.9

[M+NH4]+

375.28535

200.8

[M+K]+

396.21469

191.1

[M+H-H2O]+

340.24879

186.5

[M+HCOO]-

402.24973

202.7

[M+CH3COO]-

416.26538

216.1

[M+Na-2H]-

378.22620

188.5

[M]+

357.25098

197.7

[M]-

357.25208

197.7

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

Myristoyl glutamic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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