CID 2462933

3-[(carboxymethyl)sulfamoyl]-4-methoxybenzoic acid

Structural Information

Molecular Formula
C10H11NO7S
SMILES
COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO7S/c1-18-7-3-2-6(10(14)15)4-8(7)19(16,17)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChIKey
MOMBQPKCHILAKO-UHFFFAOYSA-N
Compound name
3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02563 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03291 157.3
[M+Na]+ 312.01485 163.6
[M-H]- 288.01835 158.3
[M+NH4]+ 307.05945 170.9
[M+K]+ 327.98879 161.6
[M+H-H2O]+ 272.02289 151.0
[M+HCOO]- 334.02383 172.5
[M+CH3COO]- 348.03948 194.5
[M+Na-2H]- 310.00030 159.5
[M]+ 289.02508 161.2
[M]- 289.02618 161.2
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.