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

18
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

patents stripe