CID 19767274

11-(methylamino)undecan-1-ol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CNCCCCCCCCCCCO

InChI

InChI=1S/C12H27NO/c1-13-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3

InChIKey

VYBQBSGDKAHCPI-UHFFFAOYSA-N

Compound name

11-(methylamino)undecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 201.20926 Da
Monoisotopic Mass: 3.2
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]+	202.216536	153.6
[M+Na]+	224.198478	157.0
[M-H]-	200.201984	151.2
[M+NH4]+	219.243083	172.0
[M+K]+	240.172418	154.7
[M+H-H2O]+	184.206520	147.7
[M+HCOO]-	246.207461	175.1
[M+CH3COO]-	260.223111	189.5
[M+Na-2H]-	222.183926	157.1
[M]+	201.20871142	155.9
[M]-	201.20980858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe