CID 3532250

2-amino-1-dodecanol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CCCCCCCCCCC(CO)N

InChI

InChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12,14H,2-11,13H2,1H3

InChIKey

VFAALMIZIKQCCB-UHFFFAOYSA-N

Compound name

2-aminododecan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 206
Patents: 201.20926 Da
Monoisotopic Mass: 3.7
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	155.1
[M+Na]+	224.198478	158.2
[M-H]-	200.201984	152.3
[M+NH4]+	219.243083	173.1
[M+K]+	240.172418	156.0
[M+H-H2O]+	184.206520	149.2
[M+HCOO]-	246.207461	175.0
[M+CH3COO]-	260.223111	189.6
[M+Na-2H]-	222.183926	156.2
[M]+	201.20871142	155.6
[M]-	201.20980858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe