CID 3338044

139756-02-8

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

CCCC1=NN(C(=C1N)C(=O)N)C

InChI

InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)

InChIKey

PZMXDLWWQHYXGY-UHFFFAOYSA-N

Compound name

4-amino-1-methyl-3-propylpyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 365
Patents: 182.11676 Da
Monoisotopic Mass: 0.5
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]+	183.124036	140.7
[M+Na]+	205.105978	149.5
[M-H]-	181.109484	141.6
[M+NH4]+	200.150583	159.3
[M+K]+	221.079918	147.4
[M+H-H2O]+	165.114020	133.5
[M+HCOO]-	227.114961	163.9
[M+CH3COO]-	241.130611	187.9
[M+Na-2H]-	203.091426	142.3
[M]+	182.11621142	139.6
[M]-	182.11730858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe