CID 16667386

(1s,4as)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

Structural Information

Molecular Formula
C12H20
SMILES
C[C@H]1CCC[C@@]2(C1C=CCC2)C
InChI
InChI=1S/C12H20/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7,10-11H,4-6,8-9H2,1-2H3/t10-,11?,12+/m0/s1
InChIKey
HDVGBFCTHLFNEE-ASKATJPDSA-N
Compound name
(4S,8aS)-4,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

0
Patents

164.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 138.2
[M+Na]+ 187.145718 143.5
[M-H]- 163.149224 141.8
[M+NH4]+ 182.190323 161.9
[M+K]+ 203.119658 141.2
[M+H-H2O]+ 147.153760 132.8
[M+HCOO]- 209.154701 155.9
[M+CH3COO]- 223.170351 180.0
[M+Na-2H]- 185.131166 144.2
[M]+ 164.15595142 132.7
[M]- 164.15704858 132.7
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

No patent data available for this compound.