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

4
Patents

126.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 121.6
[M+Na]+ 149.032148 131.4
[M-H]- 125.035654 121.7
[M+NH4]+ 144.076753 142.4
[M+K]+ 165.006088 130.1
[M+H-H2O]+ 109.040190 115.3
[M+HCOO]- 171.041131 144.7
[M+CH3COO]- 185.056781 166.3
[M+Na-2H]- 147.017596 128.3
[M]+ 126.04238142 122.4
[M]- 126.04347858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe