CID 4737280

2-chloro-4-ethoxypyrimidine

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CCOC1=NC(=NC=C1)Cl
InChI
InChI=1S/C6H7ClN2O/c1-2-10-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChIKey
PXTBPZQWBZWDFS-UHFFFAOYSA-N
Compound name
2-chloro-4-ethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

158.02469 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.0
[M+Na]+ 181.01391 137.4
[M-H]- 157.01741 128.1
[M+NH4]+ 176.05851 146.3
[M+K]+ 196.98785 134.6
[M+H-H2O]+ 141.02195 120.7
[M+HCOO]- 203.02289 145.5
[M+CH3COO]- 217.03854 174.7
[M+Na-2H]- 178.99936 135.8
[M]+ 158.02414 130.4
[M]- 158.02524 130.4
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