CID 66770662

2375248-23-8

Structural Information

Molecular Formula

C₇H₁₃NO₄S

SMILES

COC(=O)[C@@H]1C[C@H](CN1)S(=O)(=O)C

InChI

InChI=1S/C7H13NO4S/c1-12-7(9)6-3-5(4-8-6)13(2,10)11/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1

InChIKey

LABLQHSDOVOABF-RITPCOANSA-N

Compound name

methyl (2S,4R)-4-methylsulfonylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 207.05653 Da
Monoisotopic Mass: -0.7
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]+	208.06381	144.0
[M+Na]+	230.04575	151.4
[M-H]-	206.04925	145.0
[M+NH4]+	225.09035	163.2
[M+K]+	246.01969	149.9
[M+H-H2O]+	190.05379	139.1
[M+HCOO]-	252.05473	157.9
[M+CH3COO]-	266.07038	177.3
[M+Na-2H]-	228.03120	144.5
[M]+	207.05598	144.8
[M]-	207.05708	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe