CID 2755339

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

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=CC(=NN1C)C(=O)OC

InChI

InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3

InChIKey

WOBRRDCECRRRGS-UHFFFAOYSA-N

Compound name

methyl 1,5-dimethylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 154.07423 Da
Monoisotopic Mass: 0.8
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	129.8
[M+Na]+	177.06345	140.0
[M-H]-	153.06695	131.6
[M+NH4]+	172.10805	150.6
[M+K]+	193.03739	139.6
[M+H-H2O]+	137.07149	123.5
[M+HCOO]-	199.07243	152.9
[M+CH3COO]-	213.08808	176.4
[M+Na-2H]-	175.04890	134.2
[M]+	154.07368	133.0
[M]-	154.07478	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe