CID 736299

3,7-dihydroxy-2-naphthoic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)O
InChI
InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
InChIKey
QMWOUSYSNFCKAZ-UHFFFAOYSA-N
Compound name
3,7-dihydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1063
Patents

204.04225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 140.1
[M+Na]+ 227.03147 153.0
[M+NH4]+ 222.07607 147.7
[M+K]+ 243.00541 148.3
[M-H]- 203.03497 140.9
[M+Na-2H]- 225.01692 145.2
[M]+ 204.04170 142.0
[M]- 204.04280 142.0
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