CID 43141304

1-methyl-3-(5-methylfuran-2-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=CC=C(O1)C2=NN(C=C2C=O)C
InChI
InChI=1S/C10H10N2O2/c1-7-3-4-9(14-7)10-8(6-13)5-12(2)11-10/h3-6H,1-2H3
InChIKey
ADBLMNLNYNTAPM-UHFFFAOYSA-N
Compound name
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 136.4
[M+Na]+ 213.06345 148.6
[M-H]- 189.06695 142.8
[M+NH4]+ 208.10805 156.2
[M+K]+ 229.03739 147.3
[M+H-H2O]+ 173.07149 129.9
[M+HCOO]- 235.07243 162.2
[M+CH3COO]- 249.08808 182.0
[M+Na-2H]- 211.04890 141.0
[M]+ 190.07368 142.1
[M]- 190.07478 142.1
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

No patent data available for this compound.