CID 84819129

2639408-03-8

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CC1)CC(C(=O)O)N

InChI

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

InChIKey

GXUBADBLASILKZ-UHFFFAOYSA-N

Compound name

2-amino-3-(1-methylcyclopropyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 143.09464 Da
Monoisotopic Mass: -1.5
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	129.4
[M+Na]+	166.083858	137.5
[M-H]-	142.087364	132.6
[M+NH4]+	161.128463	146.7
[M+K]+	182.057798	136.1
[M+H-H2O]+	126.091900	125.3
[M+HCOO]-	188.092841	150.6
[M+CH3COO]-	202.108491	178.0
[M+Na-2H]-	164.069306	134.2
[M]+	143.09409142	130.2
[M]-	143.09518858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe