CID 101417476

(r)-2,7(14),9-bisabolatrien-11-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(CC1)C(=C)C/C=C/C(C)(C)O
InChI
InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+
InChIKey
UMHJVDDWUSONQN-VZUCSPMQSA-N
Compound name
(3E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,6-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.0
[M+Na]+ 243.171928 159.3
[M-H]- 219.175434 156.3
[M+NH4]+ 238.216533 173.0
[M+K]+ 259.145868 155.7
[M+H-H2O]+ 203.179970 149.9
[M+HCOO]- 265.180911 171.3
[M+CH3COO]- 279.196561 189.5
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 151.7
[M]- 220.18325858 151.7
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

No patent data available for this compound.