CID 152692823

2376132-24-8

Structural Information

Molecular Formula

C₁₄H₂₈N₄O₂

SMILES

CCCCCCCCCN1C=C(N=N1)C(CO)(CO)N

InChI

InChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20/h10,19-20H,2-9,11-12,15H2,1H3

InChIKey

ZPXWKEHHIIOEAC-UHFFFAOYSA-N

Compound name

2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 284.22122 Da
Monoisotopic Mass: 1.0
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]+	285.22850	172.3
[M+Na]+	307.21044	176.8
[M-H]-	283.21394	167.9
[M+NH4]+	302.25504	184.1
[M+K]+	323.18438	173.0
[M+H-H2O]+	267.21848	163.8
[M+HCOO]-	329.21942	188.2
[M+CH3COO]-	343.23507	199.4
[M+Na-2H]-	305.19589	174.1
[M]+	284.22067	173.4
[M]-	284.22177	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe