CID 62332

Phenethyl salicylate

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey
YNMSDIQQNIRGDP-UHFFFAOYSA-N
Compound name
2-phenylethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

2860
Patents

242.0943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.8
[M+Na]+ 265.08352 160.4
[M-H]- 241.08702 159.1
[M+NH4]+ 260.12812 170.3
[M+K]+ 281.05746 157.0
[M+H-H2O]+ 225.09156 146.5
[M+HCOO]- 287.09250 176.3
[M+CH3COO]- 301.10815 189.1
[M+Na-2H]- 263.06897 159.0
[M]+ 242.09375 154.7
[M]- 242.09485 154.7
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