CID 9267898

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

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CC=C(O1)C2=C(C=NN2)C=O
InChI
InChI=1S/C9H8N2O2/c1-6-2-3-8(13-6)9-7(5-12)4-10-11-9/h2-5H,1H3,(H,10,11)
InChIKey
JWGODRWFMKXNGH-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.7
[M+Na]+ 199.04780 144.0
[M-H]- 175.05130 137.5
[M+NH4]+ 194.09240 152.1
[M+K]+ 215.02174 142.1
[M+H-H2O]+ 159.05584 126.2
[M+HCOO]- 221.05678 157.4
[M+CH3COO]- 235.07243 175.3
[M+Na-2H]- 197.03325 138.1
[M]+ 176.05803 135.8
[M]- 176.05913 135.8
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.