CID 24903714

2-tert-butyl-4-chloropyrimidine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC(C)(C)C1=NC=CC(=N1)Cl
InChI
InChI=1S/C8H11ClN2/c1-8(2,3)7-10-5-4-6(9)11-7/h4-5H,1-3H3
InChIKey
WJXFFDWYYFLYFK-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

170.06108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 135.1
[M+Na]+ 193.05030 149.7
[M+NH4]+ 188.09490 143.9
[M+K]+ 209.02424 142.9
[M-H]- 169.05380 136.3
[M+Na-2H]- 191.03575 143.0
[M]+ 170.06053 138.0
[M]- 170.06163 138.0
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