CID 120747

597-00-2

Structural Information

Molecular Formula
C12H24N2O
SMILES
CCN(CC)C1(CN(C(CC1=O)C)C)C
InChI
InChI=1S/C12H24N2O/c1-6-14(7-2)12(4)9-13(5)10(3)8-11(12)15/h10H,6-9H2,1-5H3
InChIKey
FGRWRPVHVIQJOX-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1,2,5-trimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.18886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.19614 149.4
[M+Na]+ 235.17808 155.8
[M-H]- 211.18158 152.8
[M+NH4]+ 230.22268 169.9
[M+K]+ 251.15202 155.4
[M+H-H2O]+ 195.18612 143.6
[M+HCOO]- 257.18706 169.3
[M+CH3COO]- 271.20271 196.7
[M+Na-2H]- 233.16353 152.0
[M]+ 212.18831 149.4
[M]- 212.18941 149.4
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.