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

3
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

patents stripe