CID 68510

2,6-di-tert-butylpyridine

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
InChI
InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3
InChIKey
UWKQJZCTQGMHKD-UHFFFAOYSA-N
Compound name
2,6-ditert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

9674
Patents

191.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 145.8
[M+Na]+ 214.15662 153.7
[M-H]- 190.16012 148.5
[M+NH4]+ 209.20122 165.1
[M+K]+ 230.13056 151.7
[M+H-H2O]+ 174.16466 140.4
[M+HCOO]- 236.16560 164.7
[M+CH3COO]- 250.18125 186.8
[M+Na-2H]- 212.14207 152.8
[M]+ 191.16685 147.1
[M]- 191.16795 147.1
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