CID 834899

63870-38-2

Structural Information

Molecular Formula

C₇H₈N₄O₂

SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)CO

InChI

InChI=1S/C7H8N4O2/c1-4-2-6(13)11-7(8-4)9-5(3-12)10-11/h2,12H,3H2,1H3,(H,8,9,10)

InChIKey

WKWVHRXHNMBIAL-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 180.06473 Da
Monoisotopic Mass: -1.2
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]+	181.07201	135.9
[M+Na]+	203.05395	149.2
[M+NH4]+	198.09855	141.9
[M+K]+	219.02789	146.4
[M-H]-	179.05745	134.2
[M+Na-2H]-	201.03940	140.7
[M]+	180.06418	137.0
[M]-	180.06528	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe