CID 10711444

Commendamide

Structural Information

Molecular Formula

C₁₈H₃₅NO₄

SMILES

CCCCCCCCCCCCCC(CC(=O)NCC(=O)O)O

InChI

InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23)

InChIKey

MZUHHHSFDVDBCZ-UHFFFAOYSA-N

Compound name

2-(3-hydroxyhexadecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 329.25662 Da
Monoisotopic Mass: 5.1
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]+	330.26390	188.3
[M+Na]+	352.24584	188.5
[M-H]-	328.24934	183.5
[M+NH4]+	347.29044	200.2
[M+K]+	368.21978	185.6
[M+H-H2O]+	312.25388	181.1
[M+HCOO]-	374.25482	204.4
[M+CH3COO]-	388.27047	211.0
[M+Na-2H]-	350.23129	184.4
[M]+	329.25607	191.7
[M]-	329.25717	191.7

Literature stripe

literature stripe

Patent stripe

patents stripe