CID 3085365

Vetivenol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC(C=C([C@@]12CCC(=C(C)C)C2)C)O
InChI
InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14?,15+/m1/s1
InChIKey
XCEXBRKEGXBUJE-ATFAPYMMSA-N
Compound name
(5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

96
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.8
[M+Na]+ 243.17193 160.0
[M-H]- 219.17543 157.9
[M+NH4]+ 238.21653 176.3
[M+K]+ 259.14587 156.2
[M+H-H2O]+ 203.17997 149.3
[M+HCOO]- 265.18091 170.7
[M+CH3COO]- 279.19656 188.5
[M+Na-2H]- 241.15738 153.0
[M]+ 220.18216 148.6
[M]- 220.18326 148.6
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