CID 5182020

12-amino-1-dodecanol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

C(CCCCCCO)CCCCCN

InChI

InChI=1S/C12H27NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-13H2

InChIKey

IIWXYWWVCBRBCJ-UHFFFAOYSA-N

Compound name

12-aminododecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 951
Patents: 201.20926 Da
Monoisotopic Mass: 3.8
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	153.9
[M+Na]+	224.198478	157.3
[M-H]-	200.201984	151.0
[M+NH4]+	219.243083	172.0
[M+K]+	240.172418	154.6
[M+H-H2O]+	184.206520	148.0
[M+HCOO]-	246.207461	174.8
[M+CH3COO]-	260.223111	188.8
[M+Na-2H]-	222.183926	156.3
[M]+	201.20871142	155.1
[M]-	201.20980858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe