CID 11052747

Amorphadiene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1
InChIKey
HMTAHNDPLDKYJT-CBBWQLFWSA-N
Compound name
(1R,4R,4aS,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

100
References

1305
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.1
[M+Na]+ 227.17702 162.0
[M+NH4]+ 222.22162 160.2
[M+K]+ 243.15096 154.1
[M-H]- 203.18052 153.6
[M+Na-2H]- 225.16247 154.2
[M]+ 204.18725 152.8
[M]- 204.18835 152.8
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