CID 86580

17511-61-4

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CCCC(=O)OC1CC2CC1C3C2C=CC3

InChI

InChI=1S/C14H20O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h3,5,9-13H,2,4,6-8H2,1H3

InChIKey

HVEOFLOFUBUHEQ-UHFFFAOYSA-N

Compound name

8-tricyclo[5.2.1.02,6]dec-3-enyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 220.14633 Da
Monoisotopic Mass: 3.0
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]+	221.153606	157.2
[M+Na]+	243.135548	163.9
[M-H]-	219.139054	160.9
[M+NH4]+	238.180153	183.5
[M+K]+	259.109488	161.2
[M+H-H2O]+	203.143590	153.6
[M+HCOO]-	265.144531	176.9
[M+CH3COO]-	279.160181	190.4
[M+Na-2H]-	241.120996	156.4
[M]+	220.14578142	158.5
[M]-	220.14687858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe