CID 165944368

3-(methanesulfonylmethyl)-3-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC1(CCNC1)CS(=O)(=O)C
InChI
InChI=1S/C7H15NO2S/c1-7(3-4-8-5-7)6-11(2,9)10/h8H,3-6H2,1-2H3
InChIKey
ZWIRUXAXECIGDO-UHFFFAOYSA-N
Compound name
3-methyl-3-(methylsulfonylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.089626 138.2
[M+Na]+ 200.071568 145.8
[M-H]- 176.075074 139.0
[M+NH4]+ 195.116173 160.6
[M+K]+ 216.045508 143.8
[M+H-H2O]+ 160.079610 134.1
[M+HCOO]- 222.080551 152.5
[M+CH3COO]- 236.096201 172.2
[M+Na-2H]- 198.057016 141.4
[M]+ 177.08180142 137.5
[M]- 177.08289858 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.