CID 57102536

Potassium undecylenoyl glutamate

Structural Information

Molecular Formula

C₁₆H₂₇NO₅

SMILES

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

InChI

InChI=1S/C16H27NO5/c1-2-3-4-5-6-7-8-9-10-14(18)17-13(16(21)22)11-12-15(19)20/h2,13H,1,3-12H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1

InChIKey

LJAZPAUBUASEMH-ZDUSSCGKSA-N

Compound name

(2S)-2-(undec-10-enoylamino)pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 328
Patents: 313.18893 Da
Monoisotopic Mass: 3.1
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]+	314.196206	178.9
[M+Na]+	336.178148	180.2
[M-H]-	312.181654	174.6
[M+NH4]+	331.222753	191.1
[M+K]+	352.152088	177.8
[M+H-H2O]+	296.186190	172.2
[M+HCOO]-	358.187131	195.3
[M+CH3COO]-	372.202781	206.5
[M+Na-2H]-	334.163596	175.1
[M]+	313.18838142	180.9
[M]-	313.18947858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe