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

314
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 145.3
[M+Na]+ 256.02502 154.5
[M-H]- 232.02852 148.0
[M+NH4]+ 251.06962 162.7
[M+K]+ 271.99896 152.2
[M+H-H2O]+ 216.03306 139.6
[M+HCOO]- 278.03400 163.3
[M+CH3COO]- 292.04965 186.7
[M+Na-2H]- 254.01047 148.7
[M]+ 233.03525 149.6
[M]- 233.03635 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