CID 1512685

(3s,4s)-4-methylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

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

InChI

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

InChIKey

FLYSYPZJEXSTBV-RFZPGFLSSA-N

Compound name

(3S,4S)-4-methylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 129.07898 Da
Monoisotopic Mass: -2.4
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	135.9
[M+NH4]+	147.11280	134.6
[M+K]+	168.04214	134.0
[M-H]-	128.07170	126.3
[M+Na-2H]-	150.05365	129.9
[M]+	129.07843	127.9
[M]-	129.07953	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe