CID 15560285

22567-17-5

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@H](C=C2[C@@H]1CC[C@H]2C)C(=C)C
InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13-,14-/m1/s1
InChIKey
DUYRYUZIBGFLDD-AAVRWANBSA-N
Compound name
(1R,3aR,4R,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

168
Patents

204.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 146.3
[M+Na]+ 227.177018 150.7
[M-H]- 203.180524 151.4
[M+NH4]+ 222.221623 167.3
[M+K]+ 243.150958 150.5
[M+H-H2O]+ 187.185060 142.4
[M+HCOO]- 249.186001 163.8
[M+CH3COO]- 263.201651 192.6
[M+Na-2H]- 225.162466 145.9
[M]+ 204.18725142 140.3
[M]- 204.18834858 140.3
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