CID 86579

17511-60-3

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CCC(=O)OC1CC2CC1C3C2C=CC3

InChI

InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3

InChIKey

BLBJUGKATXCWET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4425
Patents: 206.13068 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]+	207.13796	152.5
[M+Na]+	229.11990	159.5
[M-H]-	205.12340	156.4
[M+NH4]+	224.16450	179.3
[M+K]+	245.09384	157.1
[M+H-H2O]+	189.12794	149.0
[M+HCOO]-	251.12888	172.5
[M+CH3COO]-	265.14453	187.5
[M+Na-2H]-	227.10535	152.2
[M]+	206.13013	153.4
[M]-	206.13123	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe