CID 45788112

4-chloro-6-cyclopropyl-2-methylpyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
CC1=NC(=CC(=N1)Cl)C2CC2
InChI
InChI=1S/C8H9ClN2/c1-5-10-7(6-2-3-6)4-8(9)11-5/h4,6H,2-3H2,1H3
InChIKey
AZIIJHCITVSSLO-UHFFFAOYSA-N
Compound name
4-chloro-6-cyclopropyl-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

168.04543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 133.3
[M+Na]+ 191.03465 149.8
[M+NH4]+ 186.07925 143.2
[M+K]+ 207.00859 143.7
[M-H]- 167.03815 143.1
[M+Na-2H]- 189.02010 144.5
[M]+ 168.04488 139.9
[M]- 168.04598 139.9
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