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]+ 153.06586 128.3
[M+Na]+ 175.04780 137.8
[M-H]- 151.05130 129.6
[M+NH4]+ 170.09240 147.0
[M+K]+ 191.02174 136.6
[M+H-H2O]+ 135.05584 121.2
[M+HCOO]- 197.05678 151.6
[M+CH3COO]- 211.07243 174.9
[M+Na-2H]- 173.03325 137.1
[M]+ 152.05803 131.1
[M]- 152.05913 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.