CID 70678558

Alpha-copaene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@H]2[C@H]3C1[C@]2(CC[C@H]3C(C)C)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKey
VLXDPFLIRFYIME-XIQJJJERSA-N
Compound name
(1S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

112
References

2026
Patents

204.1878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 159.1
[M+Na]+ 227.17702 163.5
[M-H]- 203.18052 160.2
[M+NH4]+ 222.22162 178.4
[M+K]+ 243.15096 163.2
[M+H-H2O]+ 187.18506 149.4
[M+HCOO]- 249.18600 169.3
[M+CH3COO]- 263.20165 200.0
[M+Na-2H]- 225.16247 164.4
[M]+ 204.18725 168.4
[M]- 204.18835 168.4
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