CID 42608202

3-copaene-2-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C[C@@H]([C@H]2[C@H]3C1C2(CC[C@@H]3C(C)C)C)O
InChI
InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11+,12-,13?,14+,15?/m1/s1
InChIKey
LTXWSWWXNHYXCW-SHBJXTLMSA-N
Compound name
(2S,3S,7R,8R)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.