CID 113402

63665-74-7

Structural Information

Molecular Formula

C₈H₈N₄O₃

SMILES

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

InChI

InChI=1S/C8H8N4O3/c1-4-3-5(13)12-8(9-4)10-6(11-12)7(14)15-2/h3H,1-2H3,(H,9,10,11)

InChIKey

DTIPYFGDNUVQTF-UHFFFAOYSA-N

Compound name

methyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 208.05965 Da
Monoisotopic Mass: -0.2
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]+	209.06693	142.3
[M+Na]+	231.04887	155.2
[M+NH4]+	226.09347	147.5
[M+K]+	247.02281	153.1
[M-H]-	207.05237	140.1
[M+Na-2H]-	229.03432	146.5
[M]+	208.05910	143.1
[M]-	208.06020	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe