CID 106745

67634-20-2

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)C(=O)OC1CC2CC1C3C2CC=C3
InChI
InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,8-13H,4,6-7H2,1-2H3
InChIKey
QNEXACLQEWOALO-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

289
Patents

220.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 152.0
[M+Na]+ 243.13555 159.0
[M+NH4]+ 238.18015 161.3
[M+K]+ 259.10949 159.3
[M-H]- 219.13905 151.9
[M+Na-2H]- 241.12100 150.9
[M]+ 220.14578 152.6
[M]- 220.14688 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe