CID 98898

2,6-di-tert-butyl-4-methylpyridine

Structural Information

Molecular Formula
C14H23N
SMILES
CC1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3
InChIKey
HVHZEKKZMFRULH-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

6909
Patents

205.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 149.5
[M+Na]+ 228.17226 157.9
[M-H]- 204.17576 152.4
[M+NH4]+ 223.21686 168.5
[M+K]+ 244.14620 155.7
[M+H-H2O]+ 188.18030 144.1
[M+HCOO]- 250.18124 168.1
[M+CH3COO]- 264.19689 191.0
[M+Na-2H]- 226.15771 155.4
[M]+ 205.18249 151.5
[M]- 205.18359 151.5
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