CID 13419856

4-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C[C@@H]1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1

InChIKey

KKJQZEWNZXRJFG-UHNVWZDZSA-N

Compound name

(2S,4R)-4-methylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 5901
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]+	130.08626	127.5
[M+Na]+	152.06820	134.0
[M-H]-	128.07170	126.8
[M+NH4]+	147.11280	148.5
[M+K]+	168.04214	132.5
[M+H-H2O]+	112.07624	122.3
[M+HCOO]-	174.07718	146.1
[M+CH3COO]-	188.09283	165.6
[M+Na-2H]-	150.05365	129.9
[M]+	129.07843	122.7
[M]-	129.07953	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe