CID 1201370

4-(4-methylpentyl)pyridine

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
2
Annotation Hits

0
References

39
Patents

163.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.7
[M+Na]+ 186.125318 144.1
[M-H]- 162.128824 139.5
[M+NH4]+ 181.169923 157.1
[M+K]+ 202.099258 142.1
[M+H-H2O]+ 146.133360 131.0
[M+HCOO]- 208.134301 159.3
[M+CH3COO]- 222.149951 181.0
[M+Na-2H]- 184.110766 143.8
[M]+ 163.13555142 138.3
[M]- 163.13664858 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