CID 79119760

1529158-02-8

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

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

InChI

InChI=1S/C11H22N2O/c1-12(2)8-9-13(3)10-4-6-11(14)7-5-10/h10H,4-9H2,1-3H3

InChIKey

RXOOHWWWEUJXME-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.17322 Da
Monoisotopic Mass: 0.5
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]+	199.180496	147.8
[M+Na]+	221.162438	151.0
[M-H]-	197.165944	153.1
[M+NH4]+	216.207043	167.7
[M+K]+	237.136378	152.0
[M+H-H2O]+	181.170480	140.8
[M+HCOO]-	243.171421	170.7
[M+CH3COO]-	257.187071	197.5
[M+Na-2H]-	219.147886	150.3
[M]+	198.17267142	146.2
[M]-	198.17376858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe