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]+ 197.08400 135.7
[M+Na]+ 219.06594 144.2
[M-H]- 195.06944 139.2
[M+NH4]+ 214.11054 147.3
[M+K]+ 235.03988 142.9
[M+H-H2O]+ 179.07398 123.7
[M+HCOO]- 241.07492 151.2
[M+CH3COO]- 255.09057 187.2
[M+Na-2H]- 217.05139 141.6
[M]+ 196.07617 145.3
[M]- 196.07727 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.