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]+ 178.053236 134.1
[M+Na]+ 200.035178 138.4
[M-H]- 176.038684 136.0
[M+NH4]+ 195.079783 146.5
[M+K]+ 216.009118 139.8
[M+H-H2O]+ 160.043220 122.9
[M+HCOO]- 222.044161 148.4
[M+CH3COO]- 236.059811 180.5
[M+Na-2H]- 198.020626 135.8
[M]+ 177.04541142 141.4
[M]- 177.04650858 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.