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]+ 169.052706 136.4
[M+Na]+ 191.034648 148.1
[M-H]- 167.038154 141.3
[M+NH4]+ 186.079253 152.2
[M+K]+ 207.008588 144.4
[M+H-H2O]+ 151.042690 129.6
[M+HCOO]- 213.043631 154.4
[M+CH3COO]- 227.059281 149.8
[M+Na-2H]- 189.020096 144.7
[M]+ 168.04488142 140.0
[M]- 168.04597858 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.