CID 6912913

51821-82-0

Structural Information

Molecular Formula

C₂₁H₄₁NO₂

SMILES

CCCCCCCC/C=C\CCCCCCCCN(C)CC(=O)O

InChI

InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24/h10-11H,3-9,12-20H2,1-2H3,(H,23,24)/b11-10-

InChIKey

BMGPYWJNOIMZNC-KHPPLWFESA-N

Compound name

2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 782
Patents: 339.31372 Da
Monoisotopic Mass: 5.5
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]+	340.32100	195.5
[M+Na]+	362.30294	195.7
[M-H]-	338.30644	193.0
[M+NH4]+	357.34754	208.7
[M+K]+	378.27688	192.2
[M+H-H2O]+	322.31098	187.7
[M+HCOO]-	384.31192	214.2
[M+CH3COO]-	398.32757	220.2
[M+Na-2H]-	360.28839	192.2
[M]+	339.31317	201.7
[M]-	339.31427	201.7

Literature stripe

literature stripe

Patent stripe

patents stripe