CID 71777939

3-(propane-2-sulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC(C)S(=O)(=O)C1CCNC1
InChI
InChI=1S/C7H15NO2S/c1-6(2)11(9,10)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3
InChIKey
NPQVPIJXGICUEI-UHFFFAOYSA-N
Compound name
3-propan-2-ylsulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.08235 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 139.5
[M+Na]+ 200.07157 146.0
[M-H]- 176.07507 140.2
[M+NH4]+ 195.11617 159.8
[M+K]+ 216.04551 144.2
[M+H-H2O]+ 160.07961 134.4
[M+HCOO]- 222.08055 152.7
[M+CH3COO]- 236.09620 173.5
[M+Na-2H]- 198.05702 140.0
[M]+ 177.08180 137.8
[M]- 177.08290 137.8
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