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]+ 238.18016 153.6
[M+Na]+ 260.16210 160.3
[M-H]- 236.16560 158.6
[M+NH4]+ 255.20670 174.4
[M+K]+ 276.13604 159.7
[M+H-H2O]+ 220.17014 148.6
[M+HCOO]- 282.17108 175.0
[M+CH3COO]- 296.18673 201.1
[M+Na-2H]- 258.14755 155.0
[M]+ 237.17233 155.3
[M]- 237.17343 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.