CID 47003367

4-chloro-6-cyclobutylpyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC(C1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)6-2-1-3-6/h4-6H,1-3H2
InChIKey
JFRRCDFABHILGQ-UHFFFAOYSA-N
Compound name
4-chloro-6-cyclobutylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 125.8
[M+Na]+ 191.03465 134.3
[M-H]- 167.03815 129.3
[M+NH4]+ 186.07925 138.2
[M+K]+ 207.00859 133.4
[M+H-H2O]+ 151.04269 113.9
[M+HCOO]- 213.04363 142.0
[M+CH3COO]- 227.05928 180.4
[M+Na-2H]- 189.02010 133.6
[M]+ 168.04488 134.4
[M]- 168.04598 134.4
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