CID 12563617

33146-99-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₄

SMILES

CN1C(=CC(=N1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C8H10N2O4/c1-10-6(8(12)14-3)4-5(9-10)7(11)13-2/h4H,1-3H3

InChIKey

WGTJNBANTMXQHD-UHFFFAOYSA-N

Compound name

dimethyl 1-methylpyrazole-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 198.06406 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]+	199.07134	141.4
[M+Na]+	221.05328	151.3
[M+NH4]+	216.09788	146.7
[M+K]+	237.02722	150.3
[M-H]-	197.05678	139.3
[M+Na-2H]-	219.03873	144.3
[M]+	198.06351	141.8
[M]-	198.06461	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe