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
3
Annotation Hits

0
References

316
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 158.1
[M+Na]+ 243.13555 164.4
[M-H]- 219.13905 161.9
[M+NH4]+ 238.18015 184.4
[M+K]+ 259.10949 162.2
[M+H-H2O]+ 203.14359 154.7
[M+HCOO]- 265.14453 176.7
[M+CH3COO]- 279.16018 191.2
[M+Na-2H]- 241.12100 156.1
[M]+ 220.14578 158.7
[M]- 220.14688 158.7
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