CID 5317570

(-)-germacrene d

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C\CCC(=C)/C=C/[C@@H](CC1)C(C)C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
InChIKey
GAIBLDCXCZKKJE-RXJOXMPGSA-N
Compound name
(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

161
References

1751
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.1
[M+Na]+ 227.17702 161.0
[M+NH4]+ 222.22162 157.3
[M+K]+ 243.15096 153.2
[M-H]- 203.18052 152.1
[M+Na-2H]- 225.16247 155.0
[M]+ 204.18725 151.4
[M]- 204.18835 151.4
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