CID 2060975

N-(2-aminoethyl)-1-methyl-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CN1C(=CC=N1)C(=O)NCCN

InChI

InChI=1S/C7H12N4O/c1-11-6(2-4-10-11)7(12)9-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,12)

InChIKey

QGZIEKXDLGNMGU-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 168.1011 Da
Monoisotopic Mass: -1.1
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]+	169.10838	136.0
[M+Na]+	191.09032	144.5
[M+NH4]+	186.13492	142.3
[M+K]+	207.06426	142.2
[M-H]-	167.09382	136.1
[M+Na-2H]-	189.07577	140.1
[M]+	168.10055	136.6
[M]-	168.10165	136.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.