CID 213101

Benzoic acid, 2-hydroxy-5-methoxy-, 2-phenylethyl ester

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C=C1)O)C(=O)OCCC2=CC=CC=C2
InChI
InChI=1S/C16H16O4/c1-19-13-7-8-15(17)14(11-13)16(18)20-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKey
QNVSTEGIHDXQCU-UHFFFAOYSA-N
Compound name
2-phenylethyl 2-hydroxy-5-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 161.9
[M+Na]+ 295.09408 175.5
[M+NH4]+ 290.13868 169.2
[M+K]+ 311.06802 168.8
[M-H]- 271.09758 165.2
[M+Na-2H]- 293.07953 169.8
[M]+ 272.10431 164.7
[M]- 272.10541 164.7
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

No patent data available for this compound.