CID 583021

Bornylcinnamate

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC=CC=C3)C)C

InChI

InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3

InChIKey

ACTRLDZRLKIJEH-UHFFFAOYSA-N

Compound name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 284.17764 Da
Monoisotopic Mass: 5.2
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]+	285.184916	171.6
[M+Na]+	307.166858	178.9
[M-H]-	283.170364	177.6
[M+NH4]+	302.211463	196.6
[M+K]+	323.140798	174.1
[M+H-H2O]+	267.174900	166.6
[M+HCOO]-	329.175841	190.9
[M+CH3COO]-	343.191491	200.2
[M+Na-2H]-	305.152306	172.4
[M]+	284.17709142	172.4
[M]-	284.17818858	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe