CID 3084864

2,5-dimethoxysulfanilic acid

Structural Information

Molecular Formula
C8H11NO5S
SMILES
COC1=CC(=C(C=C1N)OC)S(=O)(=O)O
InChI
InChI=1S/C8H11NO5S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey
MICDVUDJBHIFHA-UHFFFAOYSA-N
Compound name
4-amino-2,5-dimethoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

233.0358 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04308 147.9
[M+Na]+ 256.02502 157.6
[M+NH4]+ 251.06962 153.8
[M+K]+ 271.99896 153.0
[M-H]- 232.02852 147.4
[M+Na-2H]- 254.01047 151.3
[M]+ 233.03525 149.3
[M]- 233.03635 149.3
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

patents stripe