CID 62395394

Methyl 2-(1-methyl-1h-pyrazol-4-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC(C1=CN(N=C1)C)C(=O)OC

InChI

InChI=1S/C8H12N2O2/c1-6(8(11)12-3)7-4-9-10(2)5-7/h4-6H,1-3H3

InChIKey

GOVILENCRWCRAA-UHFFFAOYSA-N

Compound name

methyl 2-(1-methylpyrazol-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.08987 Da
Monoisotopic Mass: 0.6
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]+	169.09715	136.2
[M+Na]+	191.07909	146.7
[M+NH4]+	186.12369	142.9
[M+K]+	207.05303	144.4
[M-H]-	167.08259	135.3
[M+Na-2H]-	189.06454	140.4
[M]+	168.08932	137.1
[M]-	168.09042	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe