CID 101417891

Humulenol i

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CCC(=C)C(CC(/C=C\C1)(C)C)O
InChI
InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6-,12-7-
InChIKey
NMGJCQNNUTYSJJ-XDPIJNQUSA-N
Compound name
(4Z,7Z)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-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]+ 221.18999 151.5
[M+Na]+ 243.17193 163.2
[M+NH4]+ 238.21653 160.4
[M+K]+ 259.14587 154.1
[M-H]- 219.17543 154.0
[M+Na-2H]- 241.15738 158.3
[M]+ 220.18216 153.8
[M]- 220.18326 153.8
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

No patent data available for this compound.