CID 114857

Trichodiene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@@](CC1)(C)[C@]2(CCCC2=C)C
InChI
InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1
InChIKey
YFLSTROSSKYYNK-CABCVRRESA-N
Compound name
(4S)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

71
References

184
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 148.4
[M+Na]+ 227.177018 154.7
[M-H]- 203.180524 154.8
[M+NH4]+ 222.221623 173.4
[M+K]+ 243.150958 151.3
[M+H-H2O]+ 187.185060 143.6
[M+HCOO]- 249.186001 167.8
[M+CH3COO]- 263.201651 187.2
[M+Na-2H]- 225.162466 150.5
[M]+ 204.18725142 143.6
[M]- 204.18834858 143.6
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