CID 65197682

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

Structural Information

Molecular Formula
C9H8N4O
SMILES
CN1C=C(C=N1)C2=NC=C(C=N2)C=O
InChI
InChI=1S/C9H8N4O/c1-13-5-8(4-12-13)9-10-2-7(6-14)3-11-9/h2-6H,1H3
InChIKey
XXJOOJMHYNJZRU-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 138.8
[M+Na]+ 211.059028 149.7
[M-H]- 187.062534 140.9
[M+NH4]+ 206.103633 154.9
[M+K]+ 227.032968 146.4
[M+H-H2O]+ 171.067070 129.4
[M+HCOO]- 233.068011 160.6
[M+CH3COO]- 247.083661 152.0
[M+Na-2H]- 209.044476 145.2
[M]+ 188.06926142 140.3
[M]- 188.07035858 140.3
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