CID 90268626

Methyl 6-(propan-2-yl)pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)C1=CC(=NC=N1)C(=O)OC
InChI
InChI=1S/C9H12N2O2/c1-6(2)7-4-8(9(12)13-3)11-5-10-7/h4-6H,1-3H3
InChIKey
DRKVALVACDWNRS-UHFFFAOYSA-N
Compound name
methyl 6-propan-2-ylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

180.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.8
[M+Na]+ 203.07909 146.1
[M-H]- 179.08259 139.0
[M+NH4]+ 198.12369 155.3
[M+K]+ 219.05303 145.3
[M+H-H2O]+ 163.08713 130.6
[M+HCOO]- 225.08807 158.5
[M+CH3COO]- 239.10372 182.0
[M+Na-2H]- 201.06454 143.1
[M]+ 180.08932 140.0
[M]- 180.09042 140.0
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