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 151.1
[M+Na]+ 245.12605 159.1
[M-H]- 221.12955 152.2
[M+NH4]+ 240.17065 167.3
[M+K]+ 261.09999 157.5
[M+H-H2O]+ 205.13409 143.6
[M+HCOO]- 267.13503 170.8
[M+CH3COO]- 281.15068 192.2
[M+Na-2H]- 243.11150 154.1
[M]+ 222.13628 154.9
[M]- 222.13738 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.