CID 79779335

5-(1-methyl-1h-pyrazol-4-yl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C=C(C=N1)C2=CC=C(O2)C=O
InChI
InChI=1S/C9H8N2O2/c1-11-5-7(4-10-11)9-3-2-8(6-12)13-9/h2-6H,1H3
InChIKey
KNSVXXFTQTVXFN-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-4-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 131.9
[M+Na]+ 199.047798 143.7
[M-H]- 175.051304 138.1
[M+NH4]+ 194.092403 152.0
[M+K]+ 215.021738 142.7
[M+H-H2O]+ 159.055840 125.2
[M+HCOO]- 221.056781 158.1
[M+CH3COO]- 235.072431 177.9
[M+Na-2H]- 197.033246 137.7
[M]+ 176.05803142 136.9
[M]- 176.05912858 136.9
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