CID 519178

(2s)-2-amino-3-cyclopropylpropanoic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC1CC(C(=O)O)N

InChI

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

InChIKey

XGUXJMWPVJQIHI-UHFFFAOYSA-N

Compound name

2-amino-3-cyclopropylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1672
Patents: 129.07898 Da
Monoisotopic Mass: -1.9
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	124.5
[M+Na]+	152.06820	132.4
[M-H]-	128.07170	127.5
[M+NH4]+	147.11280	140.4
[M+K]+	168.04214	130.3
[M+H-H2O]+	112.07624	119.1
[M+HCOO]-	174.07718	146.4
[M+CH3COO]-	188.09283	175.6
[M+Na-2H]-	150.05365	128.7
[M]+	129.07843	124.5
[M]-	129.07953	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe