CID 25244915

Germacrene c

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C\CC/C(=C/C=C(\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/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+
InChIKey
WYGLLWYGQRUNLF-XZCMGSLHSA-N
Compound name
(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

163
Patents

204.1878 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 146.3
[M+Na]+ 227.17702 152.3
[M-H]- 203.18052 147.3
[M+NH4]+ 222.22162 163.5
[M+K]+ 243.15096 150.8
[M+H-H2O]+ 187.18506 143.8
[M+HCOO]- 249.18600 166.3
[M+CH3COO]- 263.20165 186.9
[M+Na-2H]- 225.16247 147.9
[M]+ 204.18725 142.8
[M]- 204.18835 142.8
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