CID 12420762

Methyl 2-(pyrimidin-2-yl)acetate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
COC(=O)CC1=NC=CC=N1
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-6-8-3-2-4-9-6/h2-4H,5H2,1H3
InChIKey
ZDUBLLCAMMIGFH-UHFFFAOYSA-N
Compound name
methyl 2-pyrimidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

152.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.1
[M+Na]+ 175.04780 137.5
[M-H]- 151.05130 130.1
[M+NH4]+ 170.09240 147.4
[M+K]+ 191.02174 136.7
[M+H-H2O]+ 135.05584 121.8
[M+HCOO]- 197.05678 151.4
[M+CH3COO]- 211.07243 174.0
[M+Na-2H]- 173.03325 137.3
[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