CID 3084864

2,5-dimethoxyaniline-4-sulfonic 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
2
Annotation Hits

0
References

419
Patents

233.0358 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.043076 145.3
[M+Na]+ 256.025018 154.5
[M-H]- 232.028524 148.0
[M+NH4]+ 251.069623 162.7
[M+K]+ 271.998958 152.2
[M+H-H2O]+ 216.033060 139.6
[M+HCOO]- 278.034001 163.3
[M+CH3COO]- 292.049651 186.7
[M+Na-2H]- 254.010466 148.7
[M]+ 233.03525142 149.6
[M]- 233.03634858 149.6
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