CID 57339298

Beta-copaene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)[C@@H]1CC[C@]2([C@@H]3[C@H]1C2C(=C)CC3)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKey
UPVZPMJSRSWJHQ-XIQJJJERSA-N
Compound name
(1S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

243
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 158.6
[M+Na]+ 227.17702 162.3
[M-H]- 203.18052 159.3
[M+NH4]+ 222.22162 177.7
[M+K]+ 243.15096 161.6
[M+H-H2O]+ 187.18506 149.1
[M+HCOO]- 249.18600 167.6
[M+CH3COO]- 263.20165 199.6
[M+Na-2H]- 225.16247 163.0
[M]+ 204.18725 165.9
[M]- 204.18835 165.9
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