CID 145912883

2378499-11-5

Structural Information

Molecular Formula
C6H11NO3S
SMILES
CS(=N)(=O)C1CC(C1)C(=O)O
InChI
InChI=1S/C6H11NO3S/c1-11(7,10)5-2-4(3-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
USJKFOALIKABTD-UHFFFAOYSA-N
Compound name
3-(methylsulfonimidoyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 134.1
[M+Na]+ 200.03518 138.4
[M-H]- 176.03868 136.0
[M+NH4]+ 195.07978 146.5
[M+K]+ 216.00912 139.8
[M+H-H2O]+ 160.04322 122.9
[M+HCOO]- 222.04416 148.4
[M+CH3COO]- 236.05981 180.5
[M+Na-2H]- 198.02063 135.8
[M]+ 177.04541 141.4
[M]- 177.04651 141.4
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.