CID 119831

Cedrenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O
InChI
InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3
InChIKey
DJYWGTBEZVORGE-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

256
Patents

220.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.0
[M+Na]+ 243.171928 162.0
[M-H]- 219.175434 157.1
[M+NH4]+ 238.216533 182.2
[M+K]+ 259.145868 156.9
[M+H-H2O]+ 203.179970 151.0
[M+HCOO]- 265.180911 169.2
[M+CH3COO]- 279.196561 190.2
[M+Na-2H]- 241.157376 154.7
[M]+ 220.18216142 150.6
[M]- 220.18325858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe