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

4
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 125.8
[M+Na]+ 191.034648 134.3
[M-H]- 167.038154 129.3
[M+NH4]+ 186.079253 138.2
[M+K]+ 207.008588 133.4
[M+H-H2O]+ 151.042690 113.9
[M+HCOO]- 213.043631 142.0
[M+CH3COO]- 227.059281 180.4
[M+Na-2H]- 189.020096 133.6
[M]+ 168.04488142 134.4
[M]- 168.04597858 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