CID 10037355

Undecylenoyl glycine

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

C=CCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)

InChIKey

ZROLMAVYZOMHRS-UHFFFAOYSA-N

Compound name

2-(undec-10-enoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 109
Patents: 241.1678 Da
Monoisotopic Mass: 3.2
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]+	242.175076	161.0
[M+Na]+	264.157018	164.4
[M-H]-	240.160524	158.6
[M+NH4]+	259.201623	177.3
[M+K]+	280.130958	161.9
[M+H-H2O]+	224.165060	154.8
[M+HCOO]-	286.166001	181.3
[M+CH3COO]-	300.181651	194.8
[M+Na-2H]-	262.142466	161.5
[M]+	241.16725142	163.0
[M]-	241.16834858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe