CID 83479070

5-methoxy-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CN1C(=C(C=N1)C=O)OC
InChI
InChI=1S/C6H8N2O2/c1-8-6(10-2)5(4-9)3-7-8/h3-4H,1-2H3
InChIKey
IWNNQGNSNBDJHT-UHFFFAOYSA-N
Compound name
5-methoxy-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 124.8
[M+Na]+ 163.047798 135.5
[M-H]- 139.051304 126.5
[M+NH4]+ 158.092403 146.0
[M+K]+ 179.021738 134.9
[M+H-H2O]+ 123.055840 118.4
[M+HCOO]- 185.056781 149.1
[M+CH3COO]- 199.072431 173.2
[M+Na-2H]- 161.033246 130.8
[M]+ 140.05803142 128.3
[M]- 140.05912858 128.3
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