CID 6365695

Cinnamyl salicylate

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C16H14O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2/b9-6+

InChIKey

BQLBAKUNQYHLCM-RMKNXTFCSA-N

Compound name

[(E)-3-phenylprop-2-enyl] 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.0943 Da
Monoisotopic Mass: 3.8
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]+	255.101576	157.5
[M+Na]+	277.083518	164.1
[M-H]-	253.087024	162.7
[M+NH4]+	272.128123	173.4
[M+K]+	293.057458	159.8
[M+H-H2O]+	237.091560	150.0
[M+HCOO]-	299.092501	179.8
[M+CH3COO]-	313.108151	190.6
[M+Na-2H]-	275.068966	162.1
[M]+	254.09375142	157.9
[M]-	254.09484858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe