CID 115018607

2-methanesulfonyl-1-(pyrrolidin-3-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C7H13NO3S
SMILES
CS(=O)(=O)CC(=O)C1CCNC1
InChI
InChI=1S/C7H13NO3S/c1-12(10,11)5-7(9)6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKey
PQOZKPSEUQSRAZ-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-1-pyrrolidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.06161 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06889 141.7
[M+Na]+ 214.05083 148.4
[M-H]- 190.05433 142.4
[M+NH4]+ 209.09543 161.3
[M+K]+ 230.02477 146.4
[M+H-H2O]+ 174.05887 136.6
[M+HCOO]- 236.05981 155.4
[M+CH3COO]- 250.07546 174.6
[M+Na-2H]- 212.03628 142.5
[M]+ 191.06106 140.8
[M]- 191.06216 140.8
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