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]+ 195.068356 155.3
[M+Na]+ 217.050298 164.5
[M-H]- 193.053804 161.8
[M+NH4]+ 212.094903 161.8
[M+K]+ 233.024238 160.5
[M+H-H2O]+ 177.058340 147.5
[M+HCOO]- 239.059281 170.9
[M+CH3COO]- 253.074931 165.0
[M+Na-2H]- 215.035746 158.4
[M]+ 194.06053142 159.0
[M]- 194.06162858 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