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]+ 256.06381 150.6
[M+Na]+ 278.04575 159.2
[M-H]- 254.04925 158.1
[M+NH4]+ 273.09035 162.8
[M+K]+ 294.01969 155.7
[M+H-H2O]+ 238.05379 143.9
[M+HCOO]- 300.05473 169.5
[M+CH3COO]- 314.07038 194.7
[M+Na-2H]- 276.03120 154.9
[M]+ 255.05598 156.4
[M]- 255.05708 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.