CID 140675

2,4,6-tri-tert-butylpyridine

Structural Information

Molecular Formula
C17H29N
SMILES
CC(C)(C)C1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C17H29N/c1-15(2,3)12-10-13(16(4,5)6)18-14(11-12)17(7,8)9/h10-11H,1-9H3
InChIKey
IDOFMGSESVXXQI-UHFFFAOYSA-N
Compound name
2,4,6-tritert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

434
Patents

247.23 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.237276 161.8
[M+Na]+ 270.219218 169.4
[M-H]- 246.222724 164.5
[M+NH4]+ 265.263823 179.2
[M+K]+ 286.193158 167.1
[M+H-H2O]+ 230.227260 156.5
[M+HCOO]- 292.228201 177.8
[M+CH3COO]- 306.243851 200.0
[M+Na-2H]- 268.204666 167.2
[M]+ 247.22945142 164.3
[M]- 247.23054858 164.3
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