CID 23401765

(2r)-2-(methanesulfonylmethyl)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CS(=O)(=O)C[C@H]1CCCN1

InChI

InChI=1S/C6H13NO2S/c1-10(8,9)5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1

InChIKey

VAVPZFZZRHYBLR-ZCFIWIBFSA-N

Compound name

(2R)-2-(methylsulfonylmethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 163.0667 Da
Monoisotopic Mass: -0.3
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]+	164.07398	135.1
[M+Na]+	186.05592	142.4
[M-H]-	162.05942	135.9
[M+NH4]+	181.10052	156.0
[M+K]+	202.02986	140.3
[M+H-H2O]+	146.06396	130.1
[M+HCOO]-	208.06490	149.7
[M+CH3COO]-	222.08055	169.6
[M+Na-2H]-	184.04137	137.2
[M]+	163.06615	133.7
[M]-	163.06725	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe