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]+ 165.16378 138.2
[M+Na]+ 187.14572 143.5
[M-H]- 163.14922 141.8
[M+NH4]+ 182.19032 161.9
[M+K]+ 203.11966 141.2
[M+H-H2O]+ 147.15376 132.8
[M+HCOO]- 209.15470 155.9
[M+CH3COO]- 223.17035 180.0
[M+Na-2H]- 185.13117 144.2
[M]+ 164.15595 132.7
[M]- 164.15705 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.