CID 12445034

8-hydroxy-alpha-humulene

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C\CC(/C=C/C(/C(=C/CC1)/C)O)(C)C
InChI
InChI=1S/C15H24O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+
InChIKey
NLCQRJBYGGWZRQ-SKTNYSRSSA-N
Compound name
(2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 149.6
[M+Na]+ 243.17193 157.1
[M-H]- 219.17543 150.2
[M+NH4]+ 238.21653 167.7
[M+K]+ 259.14587 155.0
[M+H-H2O]+ 203.17997 148.2
[M+HCOO]- 265.18091 168.8
[M+CH3COO]- 279.19656 184.9
[M+Na-2H]- 241.15738 152.2
[M]+ 220.18216 145.7
[M]- 220.18326 145.7
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