CID 23033398

304693-70-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

COCCN1C=C(C=N1)C=O

InChI

InChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3

InChIKey

OZCYWOQGSFDUNP-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 154.07423 Da
Monoisotopic Mass: -0.5
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	131.8
[M+Na]+	177.06345	143.1
[M+NH4]+	172.10805	138.8
[M+K]+	193.03739	139.3
[M-H]-	153.06695	131.3
[M+Na-2H]-	175.04890	136.8
[M]+	154.07368	132.9
[M]-	154.07478	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe