CID 519764

Sesquiphellandrene

Structural Information

Molecular Formula
C15H24
SMILES
CC(CCC=C(C)C)C1CCC(=C)C=C1
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3
InChIKey
PHWISBHSBNDZDX-UHFFFAOYSA-N
Compound name
3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

686
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 153.1
[M+Na]+ 227.17702 163.9
[M+NH4]+ 222.22162 161.6
[M+K]+ 243.15096 156.3
[M-H]- 203.18052 155.2
[M+Na-2H]- 225.16247 157.4
[M]+ 204.18725 155.1
[M]- 204.18835 155.1
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