CID 577203

8alpha-3-copaen-8-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC2C3C1C2(CC(C3C(C)C)O)C
InChI
InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3
InChIKey
BVCNHEVITXGCEP-UHFFFAOYSA-N
Compound name
2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.18271 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 163.9
[M+Na]+ 243.17193 168.6
[M-H]- 219.17543 163.9
[M+NH4]+ 238.21653 182.1
[M+K]+ 259.14587 168.2
[M+H-H2O]+ 203.17997 154.7
[M+HCOO]- 265.18091 172.6
[M+CH3COO]- 279.19656 200.6
[M+Na-2H]- 241.15738 168.2
[M]+ 220.18216 173.4
[M]- 220.18326 173.4
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