CID 353212

Nsc600765

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(CCC(=O)NC1=O)C2=CCCCC2
InChI
InChI=1S/C12H17NO2/c1-12(9-5-3-2-4-6-9)8-7-10(14)13-11(12)15/h5H,2-4,6-8H2,1H3,(H,13,14,15)
InChIKey
XGLFSNZOXUTEAP-UHFFFAOYSA-N
Compound name
3-(cyclohexen-1-yl)-3-methylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.7
[M+Na]+ 230.11515 152.9
[M-H]- 206.11865 150.8
[M+NH4]+ 225.15975 166.2
[M+K]+ 246.08909 149.8
[M+H-H2O]+ 190.12319 140.9
[M+HCOO]- 252.12413 163.5
[M+CH3COO]- 266.13978 182.1
[M+Na-2H]- 228.10060 151.0
[M]+ 207.12538 140.1
[M]- 207.12648 140.1
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.