CID 119031977

4-chloro-2-cyclopropyl-5-methoxy-6-methylpyrimidine

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CC1=C(C(=NC(=N1)C2CC2)Cl)OC
InChI
InChI=1S/C9H11ClN2O/c1-5-7(13-2)8(10)12-9(11-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKey
ODAZCJGPBUVQPU-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-5-methoxy-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 144.2
[M+Na]+ 221.04520 156.5
[M-H]- 197.04870 149.2
[M+NH4]+ 216.08980 157.5
[M+K]+ 237.01914 151.7
[M+H-H2O]+ 181.05324 136.7
[M+HCOO]- 243.05418 162.2
[M+CH3COO]- 257.06983 187.6
[M+Na-2H]- 219.03065 149.6
[M]+ 198.05543 150.0
[M]- 198.05653 150.0
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