CID 84110900

4-chloro-2-cyclobutyl-5-methylpyrimidine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=CN=C(N=C1Cl)C2CCC2
InChI
InChI=1S/C9H11ClN2/c1-6-5-11-9(12-8(6)10)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKey
SWHCRSZIKGONAQ-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclobutyl-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 131.0
[M+Na]+ 205.050298 139.9
[M-H]- 181.053804 134.7
[M+NH4]+ 200.094903 143.2
[M+K]+ 221.024238 138.9
[M+H-H2O]+ 165.058340 119.2
[M+HCOO]- 227.059281 146.8
[M+CH3COO]- 241.074931 184.3
[M+Na-2H]- 203.035746 137.5
[M]+ 182.06053142 140.3
[M]- 182.06162858 140.3
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.