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: 36
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]+	155.081506	129.9
[M+Na]+	177.063448	139.2
[M-H]-	153.066954	131.0
[M+NH4]+	172.108053	150.3
[M+K]+	193.037388	138.4
[M+H-H2O]+	137.071490	123.0
[M+HCOO]-	199.072431	153.9
[M+CH3COO]-	213.088081	175.1
[M+Na-2H]-	175.048896	136.0
[M]+	154.07368142	133.3
[M]-	154.07477858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe