CID 68003587

1352935-39-7

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CN(C)C(=O)C1CCC(=O)CC1

InChI

InChI=1S/C9H15NO2/c1-10(2)9(12)7-3-5-8(11)6-4-7/h7H,3-6H2,1-2H3

InChIKey

NKLKQSVCRVETKC-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-oxocyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 169.11028 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.11756	136.5
[M+Na]+	192.09950	141.4
[M-H]-	168.10300	140.9
[M+NH4]+	187.14410	157.1
[M+K]+	208.07344	141.8
[M+H-H2O]+	152.10754	130.6
[M+HCOO]-	214.10848	158.1
[M+CH3COO]-	228.12413	184.4
[M+Na-2H]-	190.08495	139.4
[M]+	169.10973	133.7
[M]-	169.11083	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe