CID 368214

17589-70-7

Structural Information

Molecular Formula

SMILES

CN(C)CC1CCCCC1O

InChI

InChI=1S/C9H19NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3

InChIKey

LBKGSNPSDIYPBE-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 157.14667 Da
Monoisotopic Mass: 1.3
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]+	158.15395	136.8
[M+Na]+	180.13589	140.9
[M-H]-	156.13939	139.6
[M+NH4]+	175.18049	157.4
[M+K]+	196.10983	140.7
[M+H-H2O]+	140.14393	131.1
[M+HCOO]-	202.14487	157.2
[M+CH3COO]-	216.16052	181.2
[M+Na-2H]-	178.12134	140.3
[M]+	157.14612	132.8
[M]-	157.14722	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe