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

347
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.

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Patent stripe

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