CID 155821693

(2-oxocyclobutyl)methanesulfonamide

Structural Information

Molecular Formula
C5H9NO3S
SMILES
C1CC(=O)C1CS(=O)(=O)N
InChI
InChI=1S/C5H9NO3S/c6-10(8,9)3-4-1-2-5(4)7/h4H,1-3H2,(H2,6,8,9)
InChIKey
ITZNOKRGUOTUOS-UHFFFAOYSA-N
Compound name
(2-oxocyclobutyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03032 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 127.6
[M+Na]+ 186.01954 133.2
[M-H]- 162.02304 130.5
[M+NH4]+ 181.06414 141.2
[M+K]+ 201.99348 134.8
[M+H-H2O]+ 146.02758 116.5
[M+HCOO]- 208.02852 144.2
[M+CH3COO]- 222.04417 178.5
[M+Na-2H]- 184.00499 130.5
[M]+ 163.02977 136.1
[M]- 163.03087 136.1
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.