CID 95491

2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1(CCCN1)C(=O)O

InChI

InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)

InChIKey

LWHHAVWYGIBIEU-UHFFFAOYSA-N

Compound name

2-methylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 2908
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	127.4
[M+Na]+	152.068198	133.9
[M-H]-	128.071704	126.8
[M+NH4]+	147.112803	150.1
[M+K]+	168.042138	132.6
[M+H-H2O]+	112.076240	122.9
[M+HCOO]-	174.077181	146.0
[M+CH3COO]-	188.092831	164.0
[M+Na-2H]-	150.053646	131.8
[M]+	129.07843142	122.6
[M]-	129.07952858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.