CID 46835183

Methyl 2-(6-chloropyrimidin-4-yl)acetate

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
COC(=O)CC1=CC(=NC=N1)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)3-5-2-6(8)10-4-9-5/h2,4H,3H2,1H3
InChIKey
IXCXDDYSHDQQIB-UHFFFAOYSA-N
Compound name
methyl 2-(6-chloropyrimidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.0196 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 133.4
[M+Na]+ 209.008818 143.4
[M-H]- 185.012324 134.5
[M+NH4]+ 204.053423 151.5
[M+K]+ 224.982758 140.7
[M+H-H2O]+ 169.016860 126.9
[M+HCOO]- 231.017801 151.0
[M+CH3COO]- 245.033451 179.0
[M+Na-2H]- 206.994266 140.5
[M]+ 186.01905142 137.3
[M]- 186.02014858 137.3
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