CID 62691759

1989671-86-4

Structural Information

Molecular Formula

C₅H₁₀N₄O

SMILES

CN1C=NN=C1C(CO)N

InChI

InChI=1S/C5H10N4O/c1-9-3-7-8-5(9)4(6)2-10/h3-4,10H,2,6H2,1H3

InChIKey

KFADKSJJPPUWKL-UHFFFAOYSA-N

Compound name

2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.08546 Da
Monoisotopic Mass: -2.3
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]+	143.09274	129.0
[M+Na]+	165.07468	137.5
[M-H]-	141.07818	127.4
[M+NH4]+	160.11928	147.3
[M+K]+	181.04862	136.2
[M+H-H2O]+	125.08272	121.5
[M+HCOO]-	187.08366	149.9
[M+CH3COO]-	201.09931	173.2
[M+Na-2H]-	163.06013	133.8
[M]+	142.08491	127.3
[M]-	142.08601	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.