CID 3023944

2-phenylpropyl salicylate

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CC(COC(=O)C1=CC=CC=C1O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O3/c1-12(13-7-3-2-4-8-13)11-19-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3

InChIKey

SYBHSJVPHKONAA-UHFFFAOYSA-N

Compound name

2-phenylpropyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 256.10995 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.117226	158.6
[M+Na]+	279.099168	164.4
[M-H]-	255.102674	163.7
[M+NH4]+	274.143773	174.3
[M+K]+	295.073108	161.3
[M+H-H2O]+	239.107210	151.1
[M+HCOO]-	301.108151	179.6
[M+CH3COO]-	315.123801	192.9
[M+Na-2H]-	277.084616	161.9
[M]+	256.10940142	159.1
[M]-	256.11049858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe