CID 43265135

2-[cyclopropyl(methyl)amino]acetic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN(CC(=O)O)C1CC1

InChI

InChI=1S/C6H11NO2/c1-7(4-6(8)9)5-2-3-5/h5H,2-4H2,1H3,(H,8,9)

InChIKey

UGVCMFJZKJVKMN-UHFFFAOYSA-N

Compound name

2-[cyclopropyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 129.07898 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]+	130.086256	125.7
[M+Na]+	152.068198	133.9
[M-H]-	128.071704	130.6
[M+NH4]+	147.112803	142.6
[M+K]+	168.042138	133.1
[M+H-H2O]+	112.076240	120.0
[M+HCOO]-	174.077181	149.6
[M+CH3COO]-	188.092831	178.7
[M+Na-2H]-	150.053646	131.2
[M]+	129.07843142	128.4
[M]-	129.07952858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe