CID 83260

2-amino-5-methoxybenzenesulfonic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1536
Patents

203.02522 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03250 138.4
[M+Na]+ 226.01444 147.5
[M-H]- 202.01794 141.0
[M+NH4]+ 221.05904 156.9
[M+K]+ 241.98838 144.8
[M+H-H2O]+ 186.02248 133.0
[M+HCOO]- 248.02342 156.6
[M+CH3COO]- 262.03907 180.2
[M+Na-2H]- 223.99989 142.7
[M]+ 203.02467 140.5
[M]- 203.02577 140.5
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