CID 83872553

6-ethoxypyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CCOC1=NC=NC(=C1)C=O
InChI
InChI=1S/C7H8N2O2/c1-2-11-7-3-6(4-10)8-5-9-7/h3-5H,2H2,1H3
InChIKey
JXLCBDSSTOZHKZ-UHFFFAOYSA-N
Compound name
6-ethoxypyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 128.3
[M+Na]+ 175.047798 137.8
[M-H]- 151.051304 129.6
[M+NH4]+ 170.092403 147.0
[M+K]+ 191.021738 136.6
[M+H-H2O]+ 135.055840 121.2
[M+HCOO]- 197.056781 151.6
[M+CH3COO]- 211.072431 174.9
[M+Na-2H]- 173.033246 137.1
[M]+ 152.05803142 131.1
[M]- 152.05912858 131.1
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.