CID 131304525

Ethyl 4-hydroxy-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CCOC(=O)C1=NN(C=C1O)C

InChI

InChI=1S/C7H10N2O3/c1-3-12-7(11)6-5(10)4-9(2)8-6/h4,10H,3H2,1-2H3

InChIKey

HTMVDGMDIGJRSJ-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-1-methylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.06914 Da
Monoisotopic Mass: 1.0
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	133.7
[M+Na]+	193.058358	143.2
[M-H]-	169.061864	134.0
[M+NH4]+	188.102963	153.0
[M+K]+	209.032298	142.4
[M+H-H2O]+	153.066400	127.3
[M+HCOO]-	215.067341	155.4
[M+CH3COO]-	229.082991	175.8
[M+Na-2H]-	191.043806	137.5
[M]+	170.06859142	136.3
[M]-	170.06968858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.