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]+ 189.07709 138.8
[M+Na]+ 211.05903 149.7
[M-H]- 187.06253 140.9
[M+NH4]+ 206.10363 154.9
[M+K]+ 227.03297 146.4
[M+H-H2O]+ 171.06707 129.4
[M+HCOO]- 233.06801 160.6
[M+CH3COO]- 247.08366 152.0
[M+Na-2H]- 209.04448 145.2
[M]+ 188.06926 140.3
[M]- 188.07036 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