CID 64917627

2-amino-2-cyclopropylbutanoic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCC(C1CC1)(C(=O)O)N

InChI

InChI=1S/C7H13NO2/c1-2-7(8,6(9)10)5-3-4-5/h5H,2-4,8H2,1H3,(H,9,10)

InChIKey

WQMWQPSZTDYVNB-UHFFFAOYSA-N

Compound name

2-amino-2-cyclopropylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.09464 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]+	144.10192	131.7
[M+Na]+	166.08386	141.1
[M+NH4]+	161.12846	139.2
[M+K]+	182.05780	139.4
[M-H]-	142.08736	138.0
[M+Na-2H]-	164.06931	137.5
[M]+	143.09409	135.6
[M]-	143.09519	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe