CID 80949381

4-chloro-2-cyclopropyl-6-methoxypyrimidine

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
COC1=CC(=NC(=N1)C2CC2)Cl
InChI
InChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
ZCGKRSQYMJSBOX-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 140.0
[M+Na]+ 207.02956 151.9
[M-H]- 183.03306 144.9
[M+NH4]+ 202.07416 153.5
[M+K]+ 223.00350 147.4
[M+H-H2O]+ 167.03760 132.4
[M+HCOO]- 229.03854 158.4
[M+CH3COO]- 243.05419 183.6
[M+Na-2H]- 205.01501 146.6
[M]+ 184.03979 145.1
[M]- 184.04089 145.1
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