CID 3034476

31621-69-9

Structural Information

Molecular Formula

C₁₄H₁₈O₂

SMILES

CC(=C)C(=O)OC1CC2CC1C3C2CC=C3

InChI

InChI=1S/C14H18O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3

InChIKey

KSJZDHASBYGXBI-UHFFFAOYSA-N

Compound name

8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 218.13068 Da
Monoisotopic Mass: 3.1
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]+	219.137956	157.1
[M+Na]+	241.119898	163.7
[M-H]-	217.123404	160.9
[M+NH4]+	236.164503	183.3
[M+K]+	257.093838	160.9
[M+H-H2O]+	201.127940	153.7
[M+HCOO]-	263.128881	175.9
[M+CH3COO]-	277.144531	190.4
[M+Na-2H]-	239.105346	155.1
[M]+	218.13013142	157.0
[M]-	218.13122858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe