CID 34540

Amorphane

Structural Information

Molecular Formula
C15H28
SMILES
CC1CCC2C(CCC(C2C1)C(C)C)C
InChI
InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3
InChIKey
FZZNNPQZDRVKLU-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

208.2191 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 152.5
[M+Na]+ 231.20832 163.5
[M+NH4]+ 226.25292 162.8
[M+K]+ 247.18226 155.8
[M-H]- 207.21182 156.1
[M+Na-2H]- 229.19377 155.8
[M]+ 208.21855 155.1
[M]- 208.21965 155.1
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