CID 75165

4-hydroxy-2-methylnaphthyl benzoate

Structural Information

Molecular Formula
C18H14O3
SMILES
CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O3/c1-12-11-16(19)14-9-5-6-10-15(14)17(12)21-18(20)13-7-3-2-4-8-13/h2-11,19H,1H3
InChIKey
IZDSOVHFCMEEEZ-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-methylnaphthalen-1-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

278.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.8
[M+Na]+ 301.08352 178.9
[M+NH4]+ 296.12812 171.8
[M+K]+ 317.05746 170.8
[M-H]- 277.08702 167.9
[M+Na-2H]- 299.06897 172.0
[M]+ 278.09375 166.7
[M]- 278.09485 166.7
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

patents stripe