CID 165991315

4-chloro-6-(1-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
CC1(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2/c1-8(2-3-8)6-4-7(9)11-5-10-6/h4-5H,2-3H2,1H3
InChIKey
KBZOSVVEWCWMOZ-UHFFFAOYSA-N
Compound name
4-chloro-6-(1-methylcyclopropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 136.4
[M+Na]+ 191.03465 148.1
[M-H]- 167.03815 141.3
[M+NH4]+ 186.07925 152.2
[M+K]+ 207.00859 144.4
[M+H-H2O]+ 151.04269 129.6
[M+HCOO]- 213.04363 154.4
[M+CH3COO]- 227.05928 149.8
[M+Na-2H]- 189.02010 144.7
[M]+ 168.04488 140.0
[M]- 168.04598 140.0
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

No patent data available for this compound.