CID 31153

22346-43-6

Structural Information

Molecular Formula
C11H11NO4S
SMILES
CNC1=CC2=CC(=CC(=C2C=C1)O)S(=O)(=O)O
InChI
InChI=1S/C11H11NO4S/c1-12-8-2-3-10-7(4-8)5-9(6-11(10)13)17(14,15)16/h2-6,12-13H,1H3,(H,14,15,16)
InChIKey
ZCNCWYFISJTFHB-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(methylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

529
Patents

253.04088 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04816 150.2
[M+Na]+ 276.03010 159.5
[M-H]- 252.03360 152.8
[M+NH4]+ 271.07470 167.5
[M+K]+ 292.00404 155.1
[M+H-H2O]+ 236.03814 145.0
[M+HCOO]- 298.03908 166.3
[M+CH3COO]- 312.05473 189.4
[M+Na-2H]- 274.01555 156.6
[M]+ 253.04033 152.5
[M]- 253.04143 152.5
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.