CID 3014479

2,5-diamino-4-methoxybenzenesulphonic acid

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
COC1=C(C=C(C(=C1)N)S(=O)(=O)O)N
InChI
InChI=1S/C7H10N2O4S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
InChIKey
RWTNAYUDAIXUBZ-UHFFFAOYSA-N
Compound name
2,5-diamino-4-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

218.03613 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043406 142.1
[M+Na]+ 241.025348 151.1
[M-H]- 217.028854 144.3
[M+NH4]+ 236.069953 159.5
[M+K]+ 256.999288 147.9
[M+H-H2O]+ 201.033390 136.4
[M+HCOO]- 263.034331 160.5
[M+CH3COO]- 277.049981 186.2
[M+Na-2H]- 239.010796 145.3
[M]+ 218.03558142 142.8
[M]- 218.03667858 142.8
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