CID 5281519

Germacrene b

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+
InChIKey
GXEGJTGWYVZSNR-SJRHNVSNSA-N
Compound name
(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

915
Patents

204.1878 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 147.0
[M+Na]+ 227.177018 152.4
[M-H]- 203.180524 147.7
[M+NH4]+ 222.221623 164.1
[M+K]+ 243.150958 150.4
[M+H-H2O]+ 187.185060 144.6
[M+HCOO]- 249.186001 165.7
[M+CH3COO]- 263.201651 185.7
[M+Na-2H]- 225.162466 147.6
[M]+ 204.18725142 141.2
[M]- 204.18834858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.