CID 4141303

89179-80-6

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=CC(=O)N(N1)C(=O)N

InChI

InChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2,7H,1H3,(H2,6,10)

InChIKey

WLTWFLRTZOESNJ-UHFFFAOYSA-N

Compound name

5-methyl-3-oxo-1H-pyrazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 141.05383 Da
Monoisotopic Mass: 0.0
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	126.9
[M+Na]+	164.04305	136.5
[M+NH4]+	159.08765	132.8
[M+K]+	180.01699	135.2
[M-H]-	140.04655	125.6
[M+Na-2H]-	162.02850	130.4
[M]+	141.05328	127.3
[M]-	141.05438	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe