CID 26604

14273-76-8

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CCOC(=O)CC1=CN=C(N=C1Cl)C
InChI
InChI=1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3
InChIKey
UXHQKBUDSNPVJV-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 143.4
[M+Na]+ 237.04012 157.3
[M+NH4]+ 232.08472 150.7
[M+K]+ 253.01406 151.0
[M-H]- 213.04362 143.8
[M+Na-2H]- 235.02557 149.6
[M]+ 214.05035 145.7
[M]- 214.05145 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe