CID 85787655

3-hydroxy-5-methyl-1-naphthoate

Structural Information

Molecular Formula
C12H10O3
SMILES
CC1=C2C=C(C=C(C2=CC=C1)C(=O)O)O
InChI
InChI=1S/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
InChIKey
XHCQZAMDSPGKMT-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

202.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 140.1
[M+Na]+ 225.05221 149.5
[M-H]- 201.05571 142.9
[M+NH4]+ 220.09681 159.5
[M+K]+ 241.02615 146.0
[M+H-H2O]+ 185.06025 134.9
[M+HCOO]- 247.06119 160.4
[M+CH3COO]- 261.07684 182.4
[M+Na-2H]- 223.03766 145.9
[M]+ 202.06244 140.4
[M]- 202.06354 140.4
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