CID 410240

71830-07-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC(CC1C(=O)O)N

InChI

InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)

InChIKey

MLLSSTJTARJLHK-UHFFFAOYSA-N

Compound name

3-aminocyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 2404
Patents: 129.07898 Da
Monoisotopic Mass: -2.6
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]+	130.08626	126.6
[M+Na]+	152.06820	132.6
[M-H]-	128.07170	128.2
[M+NH4]+	147.11280	149.0
[M+K]+	168.04214	131.6
[M+H-H2O]+	112.07624	121.7
[M+HCOO]-	174.07718	148.3
[M+CH3COO]-	188.09283	169.8
[M+Na-2H]-	150.05365	128.9
[M]+	129.07843	121.3
[M]-	129.07953	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe