CID 6993664

2-methyl-l-proline

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C[C@]1(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)/t6-/m0/s1

InChIKey

LWHHAVWYGIBIEU-LURJTMIESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 2572
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]+	130.08626	127.4
[M+Na]+	152.06820	133.9
[M-H]-	128.07170	126.8
[M+NH4]+	147.11280	150.1
[M+K]+	168.04214	132.6
[M+H-H2O]+	112.07624	122.9
[M+HCOO]-	174.07718	146.0
[M+CH3COO]-	188.09283	164.0
[M+Na-2H]-	150.05365	131.8
[M]+	129.07843	122.6
[M]-	129.07953	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe