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]+ 221.18999 155.0
[M+Na]+ 243.17193 159.3
[M-H]- 219.17543 156.3
[M+NH4]+ 238.21653 173.0
[M+K]+ 259.14587 155.7
[M+H-H2O]+ 203.17997 149.9
[M+HCOO]- 265.18091 171.3
[M+CH3COO]- 279.19656 189.5
[M+Na-2H]- 241.15738 156.5
[M]+ 220.18216 151.7
[M]- 220.18326 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.