CID 57345981

4-(tert-butyl)-2-chloropyridine

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC(C)(C)C1=CC(=NC=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
InChIKey
UGGNULHQVUWRGQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

169.06583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.1
[M+Na]+ 192.05505 143.8
[M-H]- 168.05855 136.7
[M+NH4]+ 187.09965 154.7
[M+K]+ 208.02899 140.3
[M+H-H2O]+ 152.06309 129.1
[M+HCOO]- 214.06403 151.2
[M+CH3COO]- 228.07968 178.7
[M+Na-2H]- 190.04050 141.9
[M]+ 169.06528 136.2
[M]- 169.06638 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe