CID 64981994

4,6-dichloro-2-cyclobutyl-5-ethylpyrimidine

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
CCC1=C(N=C(N=C1Cl)C2CCC2)Cl
InChI
InChI=1S/C10H12Cl2N2/c1-2-7-8(11)13-10(14-9(7)12)6-4-3-5-6/h6H,2-5H2,1H3
InChIKey
VOSFRYBCWGKUOA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-cyclobutyl-5-ethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03775 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.045026 139.1
[M+Na]+ 253.026968 148.9
[M-H]- 229.030474 141.9
[M+NH4]+ 248.071573 150.1
[M+K]+ 269.000908 146.1
[M+H-H2O]+ 213.035010 127.8
[M+HCOO]- 275.035951 149.6
[M+CH3COO]- 289.051601 192.8
[M+Na-2H]- 251.012416 143.7
[M]+ 230.03720142 149.8
[M]- 230.03829858 149.8
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.

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No patent data available for this compound.