CID 643474

N-methyl-l-proline

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN1CCC[C@H]1C(=O)O

InChI

InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey

CWLQUGTUXBXTLF-YFKPBYRVSA-N

Compound name

(2S)-1-methylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 7302
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	126.5
[M+Na]+	152.06820	133.5
[M-H]-	128.07170	127.3
[M+NH4]+	147.11280	148.3
[M+K]+	168.04214	132.9
[M+H-H2O]+	112.07624	121.1
[M+HCOO]-	174.07718	146.6
[M+CH3COO]-	188.09283	168.2
[M+Na-2H]-	150.05365	129.5
[M]+	129.07843	123.6
[M]-	129.07953	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe