CID 115463001

Methyl 2-[2-(sulfamoylmethyl)phenyl]acetate

Structural Information

Molecular Formula
C10H13NO4S
SMILES
COC(=O)CC1=CC=CC=C1CS(=O)(=O)N
InChI
InChI=1S/C10H13NO4S/c1-15-10(12)6-8-4-2-3-5-9(8)7-16(11,13)14/h2-5H,6-7H2,1H3,(H2,11,13,14)
InChIKey
CLFYZGPKMHMTJL-UHFFFAOYSA-N
Compound name
methyl 2-[2-(sulfamoylmethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05653 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 151.2
[M+Na]+ 266.04575 158.7
[M-H]- 242.04925 154.5
[M+NH4]+ 261.09035 168.5
[M+K]+ 282.01969 156.1
[M+H-H2O]+ 226.05379 145.0
[M+HCOO]- 288.05473 169.2
[M+CH3COO]- 302.07038 189.8
[M+Na-2H]- 264.03120 154.1
[M]+ 243.05598 154.5
[M]- 243.05708 154.5
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.