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]+ 223.144106 151.1
[M+Na]+ 245.126048 159.1
[M-H]- 221.129554 152.2
[M+NH4]+ 240.170653 167.3
[M+K]+ 261.099988 157.5
[M+H-H2O]+ 205.134090 143.6
[M+HCOO]- 267.135031 170.8
[M+CH3COO]- 281.150681 192.2
[M+Na-2H]- 243.111496 154.1
[M]+ 222.13628142 154.9
[M]- 222.13737858 154.9
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.