CID 17804552

5-tert-butyl-2-chloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
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 135.1
[M+Na]+ 192.05505 149.8
[M+NH4]+ 187.09965 144.6
[M+K]+ 208.02899 142.5
[M-H]- 168.05855 137.2
[M+Na-2H]- 190.04050 143.3
[M]+ 169.06528 138.3
[M]- 169.06638 138.3
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