CID 10176752

N-nonanoylglycine

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)

InChIKey

JXDFEUKNHBHUCP-UHFFFAOYSA-N

Compound name

2-(nonanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 215.15215 Da
Monoisotopic Mass: 2.7
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]+	216.15943	152.8
[M+Na]+	238.14137	159.5
[M+NH4]+	233.18597	157.9
[M+K]+	254.11531	155.1
[M-H]-	214.14487	150.4
[M+Na-2H]-	236.12682	153.3
[M]+	215.15160	152.4
[M]-	215.15270	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe