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]+ 193.097146 140.9
[M+Na]+ 215.079088 147.4
[M-H]- 191.082594 144.8
[M+NH4]+ 210.123693 155.8
[M+K]+ 231.053028 146.2
[M+H-H2O]+ 175.087130 132.1
[M+HCOO]- 237.088071 159.3
[M+CH3COO]- 251.103721 180.7
[M+Na-2H]- 213.064536 148.1
[M]+ 192.08932142 138.3
[M]- 192.09041858 138.3
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

No patent data available for this compound.