CID 1051509

4-chloro-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
COC1=CC(=NC=N1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKey
KLJGSQVYUGQOAW-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

872
Patents

144.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 122.3
[M+Na]+ 166.99825 133.1
[M-H]- 143.00175 123.6
[M+NH4]+ 162.04285 142.2
[M+K]+ 182.97219 130.7
[M+H-H2O]+ 127.00629 116.2
[M+HCOO]- 189.00723 141.1
[M+CH3COO]- 203.02288 171.7
[M+Na-2H]- 164.98370 131.7
[M]+ 144.00848 125.4
[M]- 144.00958 125.4
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