CID 10198494

2-amino-3-tetradecanol

Structural Information

Molecular Formula

C₁₄H₃₁NO

SMILES

CCCCCCCCCCCC(C(C)N)O

InChI

InChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h13-14,16H,3-12,15H2,1-2H3

InChIKey

WMUMHAZHWIUBPN-UHFFFAOYSA-N

Compound name

2-aminotetradecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.24057 Da
Monoisotopic Mass: 4.7
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]+	230.247846	165.0
[M+Na]+	252.229788	167.1
[M-H]-	228.233294	161.9
[M+NH4]+	247.274393	181.9
[M+K]+	268.203728	164.9
[M+H-H2O]+	212.237830	158.9
[M+HCOO]-	274.238771	183.2
[M+CH3COO]-	288.254421	196.5
[M+Na-2H]-	250.215236	163.7
[M]+	229.24002142	165.6
[M]-	229.24111858	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe