CID 15914515

1-(ethenesulfonyl)pyrrolidine

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C=CS(=O)(=O)N1CCCC1
InChI
InChI=1S/C6H11NO2S/c1-2-10(8,9)7-5-3-4-6-7/h2H,1,3-6H2
InChIKey
MZRYWKDCEDIJKR-UHFFFAOYSA-N
Compound name
1-ethenylsulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

161.05106 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 133.7
[M+Na]+ 184.04028 141.7
[M-H]- 160.04378 136.0
[M+NH4]+ 179.08488 155.3
[M+K]+ 200.01422 140.0
[M+H-H2O]+ 144.04832 128.5
[M+HCOO]- 206.04926 150.0
[M+CH3COO]- 220.06491 171.4
[M+Na-2H]- 182.02573 136.2
[M]+ 161.05051 133.5
[M]- 161.05161 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe