CID 1201370

4-isohexylpyridine

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)CCCC1=CC=NC=C1
InChI
InChI=1S/C11H17N/c1-10(2)4-3-5-11-6-8-12-9-7-11/h6-10H,3-5H2,1-2H3
InChIKey
ZPLJAHIMDRYVIX-UHFFFAOYSA-N
Compound name
4-(4-methylpentyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

163.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.7
[M+Na]+ 186.12532 144.1
[M-H]- 162.12882 139.5
[M+NH4]+ 181.16992 157.1
[M+K]+ 202.09926 142.1
[M+H-H2O]+ 146.13336 131.0
[M+HCOO]- 208.13430 159.3
[M+CH3COO]- 222.14995 181.0
[M+Na-2H]- 184.11077 143.8
[M]+ 163.13555 138.3
[M]- 163.13665 138.3
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