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

425
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

literature stripe

Patent stripe

patents stripe