CID 22831801

887410-44-8

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCC1=NC=C(C(=N1)C(C)C)C(=O)OCC
InChI
InChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
NMHSQRMCDIMJJI-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.7
[M+Na]+ 245.12605 163.8
[M+NH4]+ 240.17065 158.1
[M+K]+ 261.09999 158.5
[M-H]- 221.12955 151.7
[M+Na-2H]- 243.11150 156.6
[M]+ 222.13628 153.3
[M]- 222.13738 153.3
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.