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

11
Patents

168.04543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 136.3
[M+Na]+ 191.034648 148.2
[M-H]- 167.038154 141.2
[M+NH4]+ 186.079253 150.5
[M+K]+ 207.008588 143.5
[M+H-H2O]+ 151.042690 128.8
[M+HCOO]- 213.043631 154.5
[M+CH3COO]- 227.059281 149.6
[M+Na-2H]- 189.020096 143.0
[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

patents stripe