CID 13894537

Bicyclogermacrene

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C\CC/C(=C/[C@H]2[C@H](C2(C)C)CC1)/C
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1
InChIKey
VPDZRSSKICPUEY-JEPMYXAXSA-N
Compound name
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

301
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 142.6
[M+Na]+ 227.17702 152.0
[M-H]- 203.18052 146.0
[M+NH4]+ 222.22162 158.4
[M+K]+ 243.15096 151.0
[M+H-H2O]+ 187.18506 141.3
[M+HCOO]- 249.18600 161.9
[M+CH3COO]- 263.20165 190.1
[M+Na-2H]- 225.16247 147.1
[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