CID 80417

6259-50-3

Structural Information

Molecular Formula
C12H13NO4S
SMILES
CN(C)C1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)O
InChI
InChI=1S/C12H13NO4S/c1-13(2)9-4-3-8-5-10(18(15,16)17)7-12(14)11(8)6-9/h3-7,14H,1-2H3,(H,15,16,17)
InChIKey
LRPIENHBUQIGPP-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

554
Patents

267.05652 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06380 154.4
[M+Na]+ 290.04574 163.3
[M-H]- 266.04924 158.3
[M+NH4]+ 285.09034 171.7
[M+K]+ 306.01968 160.2
[M+H-H2O]+ 250.05378 148.8
[M+HCOO]- 312.05472 170.6
[M+CH3COO]- 326.07037 195.6
[M+Na-2H]- 288.03119 159.6
[M]+ 267.05597 158.3
[M]- 267.05707 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

No patent data available for this compound.