CID 138394862

Cedr-8(15)-en-4-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC([C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C)O
InChI
InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12?,13+,15+/m1/s1
InChIKey
XXEZIFFYVUWPSP-UXBXGOFWSA-N
Compound name
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.