CID 3017096

78213-60-2

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

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

InChI

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

InChIKey

BCTQUNGXIVZUSB-UHFFFAOYSA-N

Compound name

2-amino-2-(1-methylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 129.07898 Da
Monoisotopic Mass: -2.2
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	125.3
[M+Na]+	152.06820	133.7
[M-H]-	128.07170	128.6
[M+NH4]+	147.11280	143.1
[M+K]+	168.04214	132.6
[M+H-H2O]+	112.07624	121.3
[M+HCOO]-	174.07718	146.7
[M+CH3COO]-	188.09283	175.1
[M+Na-2H]-	150.05365	130.5
[M]+	129.07843	125.7
[M]-	129.07953	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe