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
1
Annotation Hits

0
References

902
Patents

282.98206 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98934 155.1
[M+Na]+ 305.97128 163.2
[M-H]- 281.97478 155.5
[M+NH4]+ 301.01588 168.9
[M+K]+ 321.94522 158.8
[M+H-H2O]+ 265.97932 149.4
[M+HCOO]- 327.98026 165.1
[M+CH3COO]- 341.99591 189.9
[M+Na-2H]- 303.95673 158.8
[M]+ 282.98151 158.3
[M]- 282.98261 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