CID 3025549

5-ethoxy-2-ethyl-4-pyrimidinol

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCC1=NC=C(C(=O)N1)OCC
InChI
InChI=1S/C8H12N2O2/c1-3-7-9-5-6(12-4-2)8(11)10-7/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
WKIRQZURYDLAMH-UHFFFAOYSA-N
Compound name
5-ethoxy-2-ethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.0
[M+Na]+ 191.079088 143.6
[M-H]- 167.082594 134.1
[M+NH4]+ 186.123693 151.7
[M+K]+ 207.053028 141.2
[M+H-H2O]+ 151.087130 127.2
[M+HCOO]- 213.088071 155.4
[M+CH3COO]- 227.103721 176.6
[M+Na-2H]- 189.064536 140.9
[M]+ 168.08932142 135.7
[M]- 168.09041858 135.7
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

patents stripe