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]+ 183.06836 131.0
[M+Na]+ 205.05030 139.9
[M-H]- 181.05380 134.7
[M+NH4]+ 200.09490 143.2
[M+K]+ 221.02424 138.9
[M+H-H2O]+ 165.05834 119.2
[M+HCOO]- 227.05928 146.8
[M+CH3COO]- 241.07493 184.3
[M+Na-2H]- 203.03575 137.5
[M]+ 182.06053 140.3
[M]- 182.06163 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.