CID 22308476

4-chloro-6-cyclohexylpyrimidine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CCC(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C10H13ClN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKey
LSVULPMVIPIAEE-UHFFFAOYSA-N
Compound name
4-chloro-6-cyclohexylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.07672 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 141.6
[M+Na]+ 219.06594 148.5
[M-H]- 195.06944 144.4
[M+NH4]+ 214.11054 158.6
[M+K]+ 235.03988 144.1
[M+H-H2O]+ 179.07398 133.4
[M+HCOO]- 241.07492 155.5
[M+CH3COO]- 255.09057 153.2
[M+Na-2H]- 217.05139 147.5
[M]+ 196.07617 138.2
[M]- 196.07727 138.2
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

patents stripe