CID 76145204

3-(2-methylpropane-2-sulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CC(C)(C)S(=O)(=O)C1CCNC1
InChI
InChI=1S/C8H17NO2S/c1-8(2,3)12(10,11)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKey
LIKMCYHXZQPPRR-UHFFFAOYSA-N
Compound name
3-tert-butylsulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.098 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.105276 144.5
[M+Na]+ 214.087218 151.3
[M-H]- 190.090724 145.3
[M+NH4]+ 209.131823 164.5
[M+K]+ 230.061158 149.3
[M+H-H2O]+ 174.095260 139.9
[M+HCOO]- 236.096201 156.9
[M+CH3COO]- 250.111851 175.4
[M+Na-2H]- 212.072666 146.6
[M]+ 191.09745142 143.2
[M]- 191.09854858 143.2
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

patents stripe