CID 61279568

4-chloro-6-(cyclopropylmethoxy)pyrimidine

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1CC1COC2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKey
JNNBMKRJHQQLMC-UHFFFAOYSA-N
Compound name
4-chloro-6-(cyclopropylmethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.04034 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 140.0
[M+Na]+ 207.02956 150.9
[M-H]- 183.03306 144.4
[M+NH4]+ 202.07416 153.2
[M+K]+ 223.00350 146.6
[M+H-H2O]+ 167.03760 132.1
[M+HCOO]- 229.03854 158.4
[M+CH3COO]- 243.05419 182.6
[M+Na-2H]- 205.01501 147.3
[M]+ 184.03979 144.6
[M]- 184.04089 144.6
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