CID 28875392

3-methoxy-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

COC1=C(C=NN1)C=O

InChI

InChI=1S/C5H6N2O2/c1-9-5-4(3-8)2-6-7-5/h2-3H,1H3,(H,6,7)

InChIKey

OSCWQGXDMIFQHT-UHFFFAOYSA-N

Compound name

5-methoxy-1H-pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 126.04293 Da
Monoisotopic Mass: 0.0
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]+	127.05021	123.4
[M+Na]+	149.03215	134.5
[M+NH4]+	144.07675	130.4
[M+K]+	165.00609	131.6
[M-H]-	125.03565	122.4
[M+Na-2H]-	147.01760	128.3
[M]+	126.04238	124.3
[M]-	126.04348	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe