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]+ 191.081506 136.4
[M+Na]+ 213.063448 148.6
[M-H]- 189.066954 142.8
[M+NH4]+ 208.108053 156.2
[M+K]+ 229.037388 147.3
[M+H-H2O]+ 173.071490 129.9
[M+HCOO]- 235.072431 162.2
[M+CH3COO]- 249.088081 182.0
[M+Na-2H]- 211.048896 141.0
[M]+ 190.07368142 142.1
[M]- 190.07477858 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.