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: 63
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]+	219.13796	157.1
[M+Na]+	241.11990	163.7
[M-H]-	217.12340	160.9
[M+NH4]+	236.16450	183.3
[M+K]+	257.09384	160.9
[M+H-H2O]+	201.12794	153.7
[M+HCOO]-	263.12888	175.9
[M+CH3COO]-	277.14453	190.4
[M+Na-2H]-	239.10535	155.1
[M]+	218.13013	157.0
[M]-	218.13123	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe