CID 56842615

Bisabolene oxide

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CC(OC12CCC(=CC2)C)C=C(C)C
InChI
InChI=1S/C15H24O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,13-14H,6-8,10H2,1-4H3
InChIKey
DEIBHEUILKXZOZ-UHFFFAOYSA-N
Compound name
4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.4
[M+Na]+ 243.17193 165.0
[M+NH4]+ 238.21653 165.0
[M+K]+ 259.14587 158.3
[M-H]- 219.17543 158.7
[M+Na-2H]- 241.15738 159.4
[M]+ 220.18216 157.3
[M]- 220.18326 157.3
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