CID 54415748

Ethyl 3-methoxy-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CCOC(=O)C1=C(NN=C1)OC

InChI

InChI=1S/C7H10N2O3/c1-3-12-7(10)5-4-8-9-6(5)11-2/h4H,3H2,1-2H3,(H,8,9)

InChIKey

VXHCBKUFAXDEDI-UHFFFAOYSA-N

Compound name

ethyl 5-methoxy-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 170.06914 Da
Monoisotopic Mass: 0.7
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]+	171.076416	134.2
[M+Na]+	193.058358	142.7
[M-H]-	169.061864	134.1
[M+NH4]+	188.102963	153.1
[M+K]+	209.032298	141.9
[M+H-H2O]+	153.066400	127.4
[M+HCOO]-	215.067341	155.9
[M+CH3COO]-	229.082991	174.6
[M+Na-2H]-	191.043806	138.6
[M]+	170.06859142	136.4
[M]-	170.06968858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe