CID 10080494

158877-12-4

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=C(N=NN1CCO)C=O

InChI

InChI=1S/C5H7N3O2/c9-2-1-8-3-5(4-10)6-7-8/h3-4,9H,1-2H2

InChIKey

FDUXXELQSVVONT-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)triazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.05383 Da
Monoisotopic Mass: -1.3
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]+	142.06111	126.2
[M+Na]+	164.04305	135.9
[M-H]-	140.04655	124.8
[M+NH4]+	159.08765	144.9
[M+K]+	180.01699	134.5
[M+H-H2O]+	124.05109	118.9
[M+HCOO]-	186.05203	147.9
[M+CH3COO]-	200.06768	169.3
[M+Na-2H]-	162.02850	132.7
[M]+	141.05328	127.5
[M]-	141.05438	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe