CID 689850

2-[(dimethylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1(CC(=O)C(=CN(C)C)C(=O)C1)C
InChI
InChI=1S/C11H17NO2/c1-11(2)5-9(13)8(7-12(3)4)10(14)6-11/h7H,5-6H2,1-4H3
InChIKey
FQROYQHOQIIRBO-UHFFFAOYSA-N
Compound name
2-(dimethylaminomethylidene)-5,5-dimethylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

195.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 140.1
[M+Na]+ 218.11515 147.5
[M-H]- 194.11865 145.3
[M+NH4]+ 213.15975 162.5
[M+K]+ 234.08909 146.8
[M+H-H2O]+ 178.12319 135.6
[M+HCOO]- 240.12413 162.3
[M+CH3COO]- 254.13978 190.6
[M+Na-2H]- 216.10060 143.4
[M]+ 195.12538 139.2
[M]- 195.12648 139.2
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