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]+ 185.047616 140.0
[M+Na]+ 207.029558 150.9
[M-H]- 183.033064 144.4
[M+NH4]+ 202.074163 153.2
[M+K]+ 223.003498 146.6
[M+H-H2O]+ 167.037600 132.1
[M+HCOO]- 229.038541 158.4
[M+CH3COO]- 243.054191 182.6
[M+Na-2H]- 205.015006 147.3
[M]+ 184.03979142 144.6
[M]- 184.04088858 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