CID 9548705

(+)-germacrene a

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)C)/C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m1/s1
InChIKey
XMRKUJJDDKYUHV-DFSVIBJJSA-N
Compound name
(1E,5E,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

22
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