CID 3016298

Phenyl 2-hydroxy-3-methylbenzoate

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1=C(C(=CC=C1)C(=O)OC2=CC=CC=C2)O
InChI
InChI=1S/C14H12O3/c1-10-6-5-9-12(13(10)15)14(16)17-11-7-3-2-4-8-11/h2-9,15H,1H3
InChIKey
YEBPMWUBZDANBU-UHFFFAOYSA-N
Compound name
phenyl 2-hydroxy-3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

228.07864 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.6
[M+Na]+ 251.067858 156.7
[M-H]- 227.071364 154.6
[M+NH4]+ 246.112463 166.0
[M+K]+ 267.041798 153.6
[M+H-H2O]+ 211.075900 141.7
[M+HCOO]- 273.076841 171.4
[M+CH3COO]- 287.092491 187.2
[M+Na-2H]- 249.053306 153.7
[M]+ 228.07809142 149.6
[M]- 228.07918858 149.6
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