CID 217823

Amino-c acid

Structural Information

Molecular Formula
C10H10N2O6S2
SMILES
C1=CC2=C(C(=C(C=C2C(=C1)S(=O)(=O)O)N)N)S(=O)(=O)O
InChI
InChI=1S/C10H10N2O6S2/c11-7-4-6-5(10(9(7)12)20(16,17)18)2-1-3-8(6)19(13,14)15/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKey
ZMAJIMKBWRSAGS-UHFFFAOYSA-N
Compound name
2,3-diaminonaphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

317.99802 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00530 163.4
[M+Na]+ 340.98724 171.8
[M-H]- 316.99074 163.8
[M+NH4]+ 336.03184 176.4
[M+K]+ 356.96118 166.0
[M+H-H2O]+ 300.99528 157.9
[M+HCOO]- 362.99622 172.4
[M+CH3COO]- 377.01187 200.7
[M+Na-2H]- 338.97269 169.0
[M]+ 317.99747 164.4
[M]- 317.99857 164.4
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