CID 132353709

4-chloro-n-cyclohexyl-n-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C11H16ClN3
SMILES
CN(C1CCCCC1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C11H16ClN3/c1-15(9-5-3-2-4-6-9)11-13-8-7-10(12)14-11/h7-9H,2-6H2,1H3
InChIKey
BROYRFVFXFCIDQ-UHFFFAOYSA-N
Compound name
4-chloro-N-cyclohexyl-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10327 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11055 149.9
[M+Na]+ 248.09249 155.6
[M-H]- 224.09599 153.9
[M+NH4]+ 243.13709 166.0
[M+K]+ 264.06643 152.2
[M+H-H2O]+ 208.10053 141.0
[M+HCOO]- 270.10147 165.0
[M+CH3COO]- 284.11712 192.5
[M+Na-2H]- 246.07794 155.0
[M]+ 225.10272 147.5
[M]- 225.10382 147.5
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.