CID 5316205

(-)-alpha-cuprenene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC=C(CC1)[C@]2(CCCC2(C)C)C
InChI
InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8H,5,7,9-11H2,1-4H3/t15-/m1/s1
InChIKey
DYQFFTPJVWEYMH-OAHLLOKOSA-N
Compound name
1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 147.7
[M+Na]+ 227.17702 154.8
[M-H]- 203.18052 154.5
[M+NH4]+ 222.22162 172.9
[M+K]+ 243.15096 151.8
[M+H-H2O]+ 187.18506 142.8
[M+HCOO]- 249.18600 168.4
[M+CH3COO]- 263.20165 187.7
[M+Na-2H]- 225.16247 150.8
[M]+ 204.18725 145.1
[M]- 204.18835 145.1
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

No patent data available for this compound.