CID 45788167

4-chloro-2,6-dicyclopropylpyrimidine

Structural Information

Molecular Formula
C10H11ClN2
SMILES
C1CC1C2=CC(=NC(=N2)C3CC3)Cl
InChI
InChI=1S/C10H11ClN2/c11-9-5-8(6-1-2-6)12-10(13-9)7-3-4-7/h5-7H,1-4H2
InChIKey
SRWQUYSMZJCDCN-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dicyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.06108 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06836 155.3
[M+Na]+ 217.05030 164.5
[M-H]- 193.05380 161.8
[M+NH4]+ 212.09490 161.8
[M+K]+ 233.02424 160.5
[M+H-H2O]+ 177.05834 147.5
[M+HCOO]- 239.05928 170.9
[M+CH3COO]- 253.07493 165.0
[M+Na-2H]- 215.03575 158.4
[M]+ 194.06053 159.0
[M]- 194.06163 159.0
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