CID 121205640

4-chloro-6-(cyclopropylmethyl)pyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC1CC2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)3-6-1-2-6/h4-6H,1-3H2
InChIKey
UBHGZHQTEKZERM-UHFFFAOYSA-N
Compound name
4-chloro-6-(cyclopropylmethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 136.4
[M+Na]+ 191.034648 147.4
[M-H]- 167.038154 140.8
[M+NH4]+ 186.079253 150.2
[M+K]+ 207.008588 142.7
[M+H-H2O]+ 151.042690 128.6
[M+HCOO]- 213.043631 154.6
[M+CH3COO]- 227.059281 149.3
[M+Na-2H]- 189.020096 143.8
[M]+ 168.04488142 139.6
[M]- 168.04597858 139.6
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

No patent data available for this compound.