CID 3020285

O-tolyl 3-methylsalicylate

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=C(C(=CC=C1)C(=O)OC2=CC=CC=C2C)O
InChI
InChI=1S/C15H14O3/c1-10-6-3-4-9-13(10)18-15(17)12-8-5-7-11(2)14(12)16/h3-9,16H,1-2H3
InChIKey
KFCUPCVFZAWPRP-UHFFFAOYSA-N
Compound name
(2-methylphenyl) 2-hydroxy-3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 152.7
[M+Na]+ 265.083518 161.2
[M-H]- 241.087024 158.9
[M+NH4]+ 260.128123 169.8
[M+K]+ 281.057458 158.0
[M+H-H2O]+ 225.091560 145.8
[M+HCOO]- 287.092501 175.2
[M+CH3COO]- 301.108151 191.5
[M+Na-2H]- 263.068966 156.5
[M]+ 242.09375142 154.4
[M]- 242.09484858 154.4
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

No patent data available for this compound.