CID 62746425

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

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=CC(=NC(=N1)C2CC2)CCl
InChI
InChI=1S/C9H11ClN2/c1-6-4-8(5-10)12-9(11-6)7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKey
FOJYJHWDGCUHDO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-cyclopropyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 140.6
[M+Na]+ 205.050298 152.1
[M-H]- 181.053804 145.2
[M+NH4]+ 200.094903 154.2
[M+K]+ 221.024238 147.1
[M+H-H2O]+ 165.058340 132.9
[M+HCOO]- 227.059281 158.5
[M+CH3COO]- 241.074931 184.6
[M+Na-2H]- 203.035746 146.8
[M]+ 182.06053142 144.6
[M]- 182.06162858 144.6
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.