CID 11984350

2-tert-butoxy-6-chloropyridine

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC(C)(C)OC1=NC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3
InChIKey
PLDRTFJRLUKTTA-UHFFFAOYSA-N
Compound name
2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

185.06075 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 137.4
[M+Na]+ 208.049968 147.1
[M-H]- 184.053474 140.0
[M+NH4]+ 203.094573 157.3
[M+K]+ 224.023908 144.1
[M+H-H2O]+ 168.058010 132.2
[M+HCOO]- 230.058951 154.7
[M+CH3COO]- 244.074601 180.7
[M+Na-2H]- 206.035416 145.2
[M]+ 185.06020142 141.0
[M]- 185.06129858 141.0
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