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 133.1
[M+Na]+ 193.05030 143.6
[M-H]- 169.05380 134.2
[M+NH4]+ 188.09490 152.3
[M+K]+ 209.02424 139.9
[M+H-H2O]+ 153.05834 126.8
[M+HCOO]- 215.05928 150.6
[M+CH3COO]- 229.07493 179.9
[M+Na-2H]- 191.03575 140.1
[M]+ 170.06053 136.2
[M]- 170.06163 136.2
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.