CID 591093

2-isobutyl-3,5-di-isopropylpyridine

Structural Information

Molecular Formula
C15H25N
SMILES
CC(C)CC1=C(C=C(C=N1)C(C)C)C(C)C
InChI
InChI=1S/C15H25N/c1-10(2)7-15-14(12(5)6)8-13(9-16-15)11(3)4/h8-12H,7H2,1-6H3
InChIKey
CZESXOCCJVKONH-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-3,5-di(propan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.205976 154.3
[M+Na]+ 242.187918 160.5
[M-H]- 218.191424 156.4
[M+NH4]+ 237.232523 172.1
[M+K]+ 258.161858 158.5
[M+H-H2O]+ 202.195960 147.7
[M+HCOO]- 264.196901 172.7
[M+CH3COO]- 278.212551 197.0
[M+Na-2H]- 240.173366 154.5
[M]+ 219.19815142 156.0
[M]- 219.19924858 156.0
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