CID 26527283

Akos000276511

Structural Information

Molecular Formula
C11H13NO4S
SMILES
COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC2
InChI
InChI=1S/C11H13NO4S/c1-16-11(13)8-2-6-10(7-3-8)17(14,15)12-9-4-5-9/h2-3,6-7,9,12H,4-5H2,1H3
InChIKey
LIEYGPLFVZEMQR-UHFFFAOYSA-N
Compound name
methyl 4-(cyclopropylsulfamoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 158.8
[M+Na]+ 278.04575 170.0
[M+NH4]+ 273.09035 166.1
[M+K]+ 294.01969 165.2
[M-H]- 254.04925 167.2
[M+Na-2H]- 276.03120 166.5
[M]+ 255.05598 164.1
[M]- 255.05708 164.1
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.