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 150.1
[M+Na]+ 243.17193 156.8
[M-H]- 219.17543 150.3
[M+NH4]+ 238.21653 168.0
[M+K]+ 259.14587 154.3
[M+H-H2O]+ 203.17997 148.8
[M+HCOO]- 265.18091 168.1
[M+CH3COO]- 279.19656 184.4
[M+Na-2H]- 241.15738 151.7
[M]+ 220.18216 144.1
[M]- 220.18326 144.1
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.