CID 84290

2-octanamidoacetic acid

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)

InChIKey

SAVLIIGUQOSOEP-UHFFFAOYSA-N

Compound name

2-(octanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 3353
Patents: 201.13649 Da
Monoisotopic Mass: 2.1
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]+	202.14377	148.4
[M+Na]+	224.12571	155.3
[M+NH4]+	219.17031	153.7
[M+K]+	240.09965	151.1
[M-H]-	200.12921	146.0
[M+Na-2H]-	222.11116	149.2
[M]+	201.13594	148.1
[M]-	201.13704	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe