CID 222166

5-amino-6-ethoxynaphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C12H13NO4S
SMILES
CCOC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)O)N
InChI
InChI=1S/C12H13NO4S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKey
IZNPFDIKQHGNSK-UHFFFAOYSA-N
Compound name
5-amino-6-ethoxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

267.05652 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.063796 155.3
[M+Na]+ 290.045738 164.5
[M-H]- 266.049244 158.6
[M+NH4]+ 285.090343 172.4
[M+K]+ 306.019678 160.5
[M+H-H2O]+ 250.053780 149.5
[M+HCOO]- 312.054721 171.9
[M+CH3COO]- 326.070371 194.2
[M+Na-2H]- 288.031186 160.5
[M]+ 267.05597142 158.7
[M]- 267.05706858 158.7
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