CID 62312567

3-amino-2-(cyclopropylmethyl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CC1CC(CN)C(=O)O

InChI

InChI=1S/C7H13NO2/c8-4-6(7(9)10)3-5-1-2-5/h5-6H,1-4,8H2,(H,9,10)

InChIKey

HIWSIHHFNBIFNB-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-cyclopropylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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]+	144.101916	128.8
[M+Na]+	166.083858	136.2
[M-H]-	142.087364	131.6
[M+NH4]+	161.128463	144.1
[M+K]+	182.057798	133.9
[M+H-H2O]+	126.091900	123.2
[M+HCOO]-	188.092841	150.4
[M+CH3COO]-	202.108491	178.4
[M+Na-2H]-	164.069306	132.4
[M]+	143.09409142	129.1
[M]-	143.09518858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe