CID 23004866

342600-58-2

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=C(OC(=C1)C2=CN=CN=C2)C=O
InChI
InChI=1S/C9H6N2O2/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H
InChIKey
TWJSPIIJOLBLDQ-UHFFFAOYSA-N
Compound name
5-pyrimidin-5-ylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.050196 132.0
[M+Na]+ 197.032138 142.1
[M-H]- 173.035644 137.3
[M+NH4]+ 192.076743 149.9
[M+K]+ 213.006078 140.7
[M+H-H2O]+ 157.040180 124.3
[M+HCOO]- 219.041121 156.0
[M+CH3COO]- 233.056771 146.5
[M+Na-2H]- 195.017586 140.2
[M]+ 174.04237142 134.3
[M]- 174.04346858 134.3
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