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
3
Annotation Hits

0
References

87
Patents

204.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 146.3
[M+Na]+ 227.17702 150.7
[M-H]- 203.18052 151.4
[M+NH4]+ 222.22162 167.3
[M+K]+ 243.15096 150.5
[M+H-H2O]+ 187.18506 142.4
[M+HCOO]- 249.18600 163.8
[M+CH3COO]- 263.20165 192.6
[M+Na-2H]- 225.16247 145.9
[M]+ 204.18725 140.3
[M]- 204.18835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.