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: 2
References: 26
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]+	130.086256	125.3
[M+Na]+	152.068198	133.7
[M-H]-	128.071704	128.6
[M+NH4]+	147.112803	143.1
[M+K]+	168.042138	132.6
[M+H-H2O]+	112.076240	121.3
[M+HCOO]-	174.077181	146.7
[M+CH3COO]-	188.092831	175.1
[M+Na-2H]-	150.053646	130.5
[M]+	129.07843142	125.7
[M]-	129.07952858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe