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

898
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 159.6
[M+Na]+ 305.97128 166.5
[M+NH4]+ 301.01588 163.3
[M+K]+ 321.94522 162.6
[M-H]- 281.97478 156.4
[M+Na-2H]- 303.95673 160.5
[M]+ 282.98151 160.1
[M]- 282.98261 160.1
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