CID 138040838

2243513-84-8

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

C1CN2C(=NNC2=O)CC1N

InChI

InChI=1S/C6H10N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h4H,1-3,7H2,(H,9,11)

InChIKey

YAMLHRYTOYFXPH-UHFFFAOYSA-N

Compound name

7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.08546 Da
Monoisotopic Mass: -1.4
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]+	155.092736	130.6
[M+Na]+	177.074678	139.5
[M-H]-	153.078184	129.5
[M+NH4]+	172.119283	149.4
[M+K]+	193.048618	136.4
[M+H-H2O]+	137.082720	123.3
[M+HCOO]-	199.083661	149.3
[M+CH3COO]-	213.099311	142.9
[M+Na-2H]-	175.060126	136.3
[M]+	154.08491142	125.6
[M]-	154.08600858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.