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

355
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

No literature data available for this compound.

Patent stripe

patents stripe