CID 80486052

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

Structural Information

Molecular Formula
C10H13ClN2
SMILES
CC1=CC(=NC(=N1)CC2CC2)CCl
InChI
InChI=1S/C10H13ClN2/c1-7-4-9(6-11)13-10(12-7)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3
InChIKey
WPBBHNMJNOUEAR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(cyclopropylmethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07672 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 144.8
[M+Na]+ 219.065938 155.9
[M-H]- 195.069444 149.3
[M+NH4]+ 214.110543 157.9
[M+K]+ 235.039878 150.7
[M+H-H2O]+ 179.073980 136.9
[M+HCOO]- 241.074921 162.4
[M+CH3COO]- 255.090571 187.5
[M+Na-2H]- 217.051386 150.5
[M]+ 196.07617142 149.2
[M]- 196.07726858 149.2
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.