CID 20607916

Dtxsid7044970

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

C=CC(=O)OCCOC1C2CCC1C3C2CC=C3

InChI

InChI=1S/C15H20O3/c1-2-14(16)17-8-9-18-15-12-6-7-13(15)11-5-3-4-10(11)12/h2-4,10-13,15H,1,5-9H2

InChIKey

VPQCXNHTQSRYAT-UHFFFAOYSA-N

Compound name

2-(10-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 248.14125 Da
Monoisotopic Mass: 2.6
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]+	249.148526	163.4
[M+Na]+	271.130468	169.7
[M-H]-	247.133974	166.9
[M+NH4]+	266.175073	188.4
[M+K]+	287.104408	166.8
[M+H-H2O]+	231.138510	159.7
[M+HCOO]-	293.139451	183.1
[M+CH3COO]-	307.155101	194.5
[M+Na-2H]-	269.115916	162.3
[M]+	248.14070142	165.8
[M]-	248.14179858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe