CID 64986165

4-(chloromethyl)-2-cyclobutyl-6-methylpyrimidine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
CC1=CC(=NC(=N1)C2CCC2)CCl
InChI
InChI=1S/C10H13ClN2/c1-7-5-9(6-11)13-10(12-7)8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKey
RNIHXWSGVOBNKZ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-cyclobutyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07672 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 135.7
[M+Na]+ 219.065938 144.2
[M-H]- 195.069444 139.2
[M+NH4]+ 214.110543 147.3
[M+K]+ 235.039878 142.9
[M+H-H2O]+ 179.073980 123.7
[M+HCOO]- 241.074921 151.2
[M+CH3COO]- 255.090571 187.2
[M+Na-2H]- 217.051386 141.6
[M]+ 196.07617142 145.3
[M]- 196.07726858 145.3
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.