CID 21613028

1691859-88-7

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

CC1=NC2=NC(=NN2C=C1)C(=O)O

InChI

InChI=1S/C7H6N4O2/c1-4-2-3-11-7(8-4)9-5(10-11)6(12)13/h2-3H,1H3,(H,12,13)

InChIKey

NJJUFWDHTHTEKA-UHFFFAOYSA-N

Compound name

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.04907 Da
Monoisotopic Mass: 0.4
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]+	179.05635	134.5
[M+Na]+	201.03829	147.7
[M+NH4]+	196.08289	140.8
[M+K]+	217.01223	145.2
[M-H]-	177.04179	133.1
[M+Na-2H]-	199.02374	139.9
[M]+	178.04852	135.7
[M]-	178.04962	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe