CID 4417379

51420-46-3

Structural Information

Molecular Formula

C₆H₁₁N₅O

SMILES

C1COCCN1C2=NNC(=N2)N

InChI

InChI=1S/C6H11N5O/c7-5-8-6(10-9-5)11-1-3-12-4-2-11/h1-4H2,(H3,7,8,9,10)

InChIKey

BPOWERXZKXCBFE-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1H-1,2,4-triazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 65
Patents: 169.09636 Da
Monoisotopic Mass: -0.3
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]+	170.10364	136.2
[M+Na]+	192.08558	142.9
[M-H]-	168.08908	136.0
[M+NH4]+	187.13018	150.0
[M+K]+	208.05952	141.2
[M+H-H2O]+	152.09362	126.8
[M+HCOO]-	214.09456	152.5
[M+CH3COO]-	228.11021	147.1
[M+Na-2H]-	190.07103	141.3
[M]+	169.09581	129.9
[M]-	169.09691	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe