CID 16756526

2-chloro-5-pentylpyrimidine

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CCCCCC1=CN=C(N=C1)Cl
InChI
InChI=1S/C9H13ClN2/c1-2-3-4-5-8-6-11-9(10)12-7-8/h6-7H,2-5H2,1H3
InChIKey
WMARUIMXVALOMF-UHFFFAOYSA-N
Compound name
2-chloro-5-pentylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

184.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 138.0
[M+Na]+ 207.065938 147.1
[M-H]- 183.069444 138.5
[M+NH4]+ 202.110543 156.3
[M+K]+ 223.039878 143.1
[M+H-H2O]+ 167.073980 131.2
[M+HCOO]- 229.074921 155.2
[M+CH3COO]- 243.090571 181.8
[M+Na-2H]- 205.051386 145.1
[M]+ 184.07617142 141.0
[M]- 184.07726858 141.0
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

patents stripe