CID 65334514

2-(oxan-4-yl)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1COCCC1C2=NC=C(C=N2)C=O
InChI
InChI=1S/C10H12N2O2/c13-7-8-5-11-10(12-6-8)9-1-3-14-4-2-9/h5-7,9H,1-4H2
InChIKey
CEUVQYYMZMISFL-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.7
[M+Na]+ 215.07909 155.1
[M+NH4]+ 210.12369 149.6
[M+K]+ 231.05303 148.8
[M-H]- 191.08259 145.8
[M+Na-2H]- 213.06454 149.1
[M]+ 192.08932 144.7
[M]- 192.09042 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.