CID 2753080

Methyl 3,5-dimethyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=C(C(=NN1)C)C(=O)OC

InChI

InChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9)

InChIKey

HYULAOVKUFWMCB-UHFFFAOYSA-N

Compound name

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 154.07423 Da
Monoisotopic Mass: 0.9
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]+	155.08151	132.3
[M+Na]+	177.06345	143.1
[M+NH4]+	172.10805	138.9
[M+K]+	193.03739	140.7
[M-H]-	153.06695	131.1
[M+Na-2H]-	175.04890	136.2
[M]+	154.07368	133.1
[M]-	154.07478	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe