CID 12747510

1-methyl-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula

C₅H₅N₃

SMILES

CN1C=CC(=N1)C#N

InChI

InChI=1S/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3

InChIKey

UOQLZFAAFSUXFE-UHFFFAOYSA-N

Compound name

1-methylpyrazole-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 107.04835 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]+	108.05563	120.5
[M+Na]+	130.03757	132.3
[M+NH4]+	125.08217	125.4
[M+K]+	146.01151	125.2
[M-H]-	106.04107	113.9
[M+Na-2H]-	128.02302	124.5
[M]+	107.04780	119.3
[M]-	107.04890	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe