CID 26527283

1219022-83-9

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]+ 256.063806 150.6
[M+Na]+ 278.045748 159.2
[M-H]- 254.049254 158.1
[M+NH4]+ 273.090353 162.8
[M+K]+ 294.019688 155.7
[M+H-H2O]+ 238.053790 143.9
[M+HCOO]- 300.054731 169.5
[M+CH3COO]- 314.070381 194.7
[M+Na-2H]- 276.031196 154.9
[M]+ 255.05598142 156.4
[M]- 255.05707858 156.4
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.