CID 358900

Nsc38525

Structural Information

Molecular Formula

C₁₂H₂₄N₂O

SMILES

CN(C)CC1CCCC(C1=O)CN(C)C

InChI

InChI=1S/C12H24N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h10-11H,5-9H2,1-4H3

InChIKey

WFFCWXMFKGCIGF-UHFFFAOYSA-N

Compound name

2,6-bis[(dimethylamino)methyl]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 212.18886 Da
Monoisotopic Mass: 1.1
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]+	213.19614	152.1
[M+Na]+	235.17808	160.8
[M+NH4]+	230.22268	160.2
[M+K]+	251.15202	155.2
[M-H]-	211.18158	155.3
[M+Na-2H]-	233.16353	156.2
[M]+	212.18831	153.9
[M]-	212.18941	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe