CID 3086435

Ethanone, 1-(hexahydrodimethyl-1h-benzindenyl)-

Structural Information

Molecular Formula
C12H21NO
SMILES
C[C@@H]1CC[C@H]2[C@H](CN([C@@H]2C1)C(=O)C)C
InChI
InChI=1S/C12H21NO/c1-8-4-5-11-9(2)7-13(10(3)14)12(11)6-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+,11+,12-/m1/s1
InChIKey
IYQXQRZPAZBRCU-LLHIFLOGSA-N
Compound name
1-[(3R,3aS,6R,7aR)-3,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 147.0
[M+Na]+ 218.15153 156.8
[M+NH4]+ 213.19613 155.8
[M+K]+ 234.12547 152.6
[M-H]- 194.15503 148.2
[M+Na-2H]- 216.13698 148.9
[M]+ 195.16176 148.5
[M]- 195.16286 148.5
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.