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

38
Patents

170.06108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 134.4
[M+Na]+ 193.050298 144.5
[M-H]- 169.053804 135.6
[M+NH4]+ 188.094903 153.6
[M+K]+ 209.024238 141.2
[M+H-H2O]+ 153.058340 128.5
[M+HCOO]- 215.059281 150.4
[M+CH3COO]- 229.074931 178.4
[M+Na-2H]- 191.035746 142.7
[M]+ 170.06053142 136.6
[M]- 170.06162858 136.6
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