CID 4385765

N,n-diethyl-2-oxo-4,6,6-trimethyl-3-cyclohexene-1-carboxamide

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCN(CC)C(=O)C1C(=O)C=C(CC1(C)C)C
InChI
InChI=1S/C14H23NO2/c1-6-15(7-2)13(17)12-11(16)8-10(3)9-14(12,4)5/h8,12H,6-7,9H2,1-5H3
InChIKey
NFAHDHNTWDSMQO-UHFFFAOYSA-N
Compound name
N,N-diethyl-4,6,6-trimethyl-2-oxocyclohex-3-ene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 153.6
[M+Na]+ 260.162098 160.3
[M-H]- 236.165604 158.6
[M+NH4]+ 255.206703 174.4
[M+K]+ 276.136038 159.7
[M+H-H2O]+ 220.170140 148.6
[M+HCOO]- 282.171081 175.0
[M+CH3COO]- 296.186731 201.1
[M+Na-2H]- 258.147546 155.0
[M]+ 237.17233142 155.3
[M]- 237.17342858 155.3
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.