CID 175787

1h-pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-n-methyl-

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)NC)C#N

InChI

InChI=1S/C10H14N4O/c1-10(2,3)14-8(5-11)7(6-13-14)9(15)12-4/h6H,1-4H3,(H,12,15)

InChIKey

JLUPSFKBYGTZJQ-UHFFFAOYSA-N

Compound name

1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1031
Patents: 206.11676 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]+	207.124036	148.8
[M+Na]+	229.105978	158.1
[M-H]-	205.109484	149.5
[M+NH4]+	224.150583	164.8
[M+K]+	245.079918	156.7
[M+H-H2O]+	189.114020	134.8
[M+HCOO]-	251.114961	166.2
[M+CH3COO]-	265.130611	200.6
[M+Na-2H]-	227.091426	152.0
[M]+	206.11621142	144.5
[M]-	206.11730858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe