CID 108464

Einecs 262-254-0

Structural Information

Molecular Formula
C13H20O
SMILES
C=CCC1(CC2CC1C3C2CCC3)O
InChI
InChI=1S/C13H20O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h2,9-12,14H,1,3-8H2
InChIKey
RFMGDEQGIOAYPI-UHFFFAOYSA-N
Compound name
8-prop-2-enyltricyclo[5.2.1.02,6]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

192.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 150.6
[M+Na]+ 215.14063 157.8
[M-H]- 191.14413 152.9
[M+NH4]+ 210.18523 179.3
[M+K]+ 231.11457 153.3
[M+H-H2O]+ 175.14867 147.7
[M+HCOO]- 237.14961 168.5
[M+CH3COO]- 251.16526 163.0
[M+Na-2H]- 213.12608 151.2
[M]+ 192.15086 147.8
[M]- 192.15196 147.8
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