CID 14670801

2-amino-5-methoxybenzene-1,4-disulfonic acid

Structural Information

Molecular Formula
C7H9NO7S2
SMILES
COC1=C(C=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C7H9NO7S2/c1-15-5-3-6(16(9,10)11)4(8)2-7(5)17(12,13)14/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)
InChIKey
GLABVBIYGGDCNO-UHFFFAOYSA-N
Compound name
2-amino-5-methoxybenzene-1,4-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

952
Patents

282.98206 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.989336 155.1
[M+Na]+ 305.971278 163.2
[M-H]- 281.974784 155.5
[M+NH4]+ 301.015883 168.9
[M+K]+ 321.945218 158.8
[M+H-H2O]+ 265.979320 149.4
[M+HCOO]- 327.980261 165.1
[M+CH3COO]- 341.995911 189.9
[M+Na-2H]- 303.956726 158.8
[M]+ 282.98151142 158.3
[M]- 282.98260858 158.3
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