CID 28064543

4-chloro-2-methyl-5-propylpyrimidine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CCCC1=CN=C(N=C1Cl)C
InChI
InChI=1S/C8H11ClN2/c1-3-4-7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3
InChIKey
CDBCAEDPKQHTSE-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5-propylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 133.6
[M+Na]+ 193.05030 148.9
[M+NH4]+ 188.09490 142.6
[M+K]+ 209.02424 141.0
[M-H]- 169.05380 135.4
[M+Na-2H]- 191.03575 141.4
[M]+ 170.06053 136.7
[M]- 170.06163 136.7
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.