CID 80945

6470-17-3

Structural Information

Molecular Formula
C7H9NO4S
SMILES
COC1=C(C=C(C=C1)N)S(=O)(=O)O
InChI
InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey
JXZGTFLJFKLVAX-UHFFFAOYSA-N
Compound name
5-amino-2-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

623
Patents

203.02522 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03250 140.3
[M+Na]+ 226.01444 150.4
[M+NH4]+ 221.05904 146.9
[M+K]+ 241.98838 145.2
[M-H]- 202.01794 140.3
[M+Na-2H]- 223.99989 144.6
[M]+ 203.02467 141.9
[M]- 203.02577 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe