CID 58693703

2219375-51-4

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=NC(=NN1C)C(=O)O

InChI

InChI=1S/C5H7N3O2/c1-3-6-4(5(9)10)7-8(3)2/h1-2H3,(H,9,10)

InChIKey

ZNQFXUXPDNGZIA-UHFFFAOYSA-N

Compound name

1,5-dimethyl-1,2,4-triazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 141.05383 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]+	142.06111	127.7
[M+Na]+	164.04305	138.6
[M+NH4]+	159.08765	133.7
[M+K]+	180.01699	137.0
[M-H]-	140.04655	125.7
[M+Na-2H]-	162.02850	131.6
[M]+	141.05328	128.3
[M]-	141.05438	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe