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

72
Patents

184.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 138.0
[M+Na]+ 207.06594 147.1
[M-H]- 183.06944 138.5
[M+NH4]+ 202.11054 156.3
[M+K]+ 223.03988 143.1
[M+H-H2O]+ 167.07398 131.2
[M+HCOO]- 229.07492 155.2
[M+CH3COO]- 243.09057 181.8
[M+Na-2H]- 205.05139 145.1
[M]+ 184.07617 141.0
[M]- 184.07727 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