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]+ 171.068356 133.1
[M+Na]+ 193.050298 143.6
[M-H]- 169.053804 134.2
[M+NH4]+ 188.094903 152.3
[M+K]+ 209.024238 139.9
[M+H-H2O]+ 153.058340 126.8
[M+HCOO]- 215.059281 150.6
[M+CH3COO]- 229.074931 179.9
[M+Na-2H]- 191.035746 140.1
[M]+ 170.06053142 136.2
[M]- 170.06162858 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.