CID 16227987

3-(cyclopropylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC1NCCC(=O)O

InChI

InChI=1S/C6H11NO2/c8-6(9)3-4-7-5-1-2-5/h5,7H,1-4H2,(H,8,9)

InChIKey

KAGNQZHEDUAMKC-UHFFFAOYSA-N

Compound name

3-(cyclopropylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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]+	130.086256	125.0
[M+Na]+	152.068198	133.0
[M-H]-	128.071704	128.4
[M+NH4]+	147.112803	141.2
[M+K]+	168.042138	130.9
[M+H-H2O]+	112.076240	119.4
[M+HCOO]-	174.077181	148.4
[M+CH3COO]-	188.092831	175.3
[M+Na-2H]-	150.053646	131.3
[M]+	129.07843142	126.5
[M]-	129.07952858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe