CID 236508

88807-89-0

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C1CC1)(C(=O)O)N

InChI

InChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)

InChIKey

VRFYYCFVOBCXDL-UHFFFAOYSA-N

Compound name

2-amino-2-cyclopropylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 129.07898 Da
Monoisotopic Mass: -2.4
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	124.3
[M+Na]+	152.06820	132.7
[M-H]-	128.07170	127.4
[M+NH4]+	147.11280	140.4
[M+K]+	168.04214	130.6
[M+H-H2O]+	112.07624	119.5
[M+HCOO]-	174.07718	145.6
[M+CH3COO]-	188.09283	175.0
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	124.4
[M]-	129.07953	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe