CID 3024242

2-(5-methylhexyl)pyridine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)CCCCC1=CC=CC=N1
InChI
InChI=1S/C12H19N/c1-11(2)7-3-4-8-12-9-5-6-10-13-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKey
WXZQNHOHMPCZGQ-UHFFFAOYSA-N
Compound name
2-(5-methylhexyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.4
[M+Na]+ 200.140968 148.3
[M-H]- 176.144474 143.9
[M+NH4]+ 195.185573 161.2
[M+K]+ 216.114908 146.1
[M+H-H2O]+ 160.149010 135.4
[M+HCOO]- 222.149951 163.7
[M+CH3COO]- 236.165601 184.0
[M+Na-2H]- 198.126416 147.9
[M]+ 177.15120142 143.3
[M]- 177.15229858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe