CID 82406270

2-pyrimidin-5-ylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC(=C(N=C1)C2=CN=CN=C2)C=O
InChI
InChI=1S/C10H7N3O/c14-6-8-2-1-3-13-10(8)9-4-11-7-12-5-9/h1-7H
InChIKey
IRZWLAMVJRMQHT-UHFFFAOYSA-N
Compound name
2-pyrimidin-5-ylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 137.8
[M+Na]+ 208.048128 147.4
[M-H]- 184.051634 140.6
[M+NH4]+ 203.092733 153.2
[M+K]+ 224.022068 143.6
[M+H-H2O]+ 168.056170 128.5
[M+HCOO]- 230.057111 159.8
[M+CH3COO]- 244.072761 150.8
[M+Na-2H]- 206.033576 147.5
[M]+ 185.05836142 138.0
[M]- 185.05945858 138.0
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.