CID 5315299

Beta-betulenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC2C1CC/C(=C\CCC2=C)/CO)C
InChI
InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
InChIKey
MGIQTXDHQJGPEZ-WUXMJOGZSA-N
Compound name
[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 144.6
[M+Na]+ 243.17193 146.1
[M+NH4]+ 238.21653 146.1
[M+K]+ 259.14587 146.6
[M-H]- 219.17543 145.0
[M+Na-2H]- 241.15738 147.0
[M]+ 220.18216 144.9
[M]- 220.18326 144.9
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.