CID 53429432

Methyl 5-methylpyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CN=C(N=C1)C(=O)OC
InChI
InChI=1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3
InChIKey
WBEDYPRLVFMBSD-UHFFFAOYSA-N
Compound name
methyl 5-methylpyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

152.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 128.7
[M+Na]+ 175.04780 138.0
[M-H]- 151.05130 130.1
[M+NH4]+ 170.09240 147.4
[M+K]+ 191.02174 137.3
[M+H-H2O]+ 135.05584 121.7
[M+HCOO]- 197.05678 151.0
[M+CH3COO]- 211.07243 175.1
[M+Na-2H]- 173.03325 136.2
[M]+ 152.05803 130.8
[M]- 152.05913 130.8
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