CID 3020010

4-methyl-2-pentylpyridine

Structural Information

Molecular Formula
C11H17N
SMILES
CCCCCC1=NC=CC(=C1)C
InChI
InChI=1S/C11H17N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h7-9H,3-6H2,1-2H3
InChIKey
FILVPVLQGMBYPS-UHFFFAOYSA-N
Compound name
4-methyl-2-pentylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

163.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.3
[M+Na]+ 186.12532 151.1
[M+NH4]+ 181.16992 146.4
[M+K]+ 202.09926 142.9
[M-H]- 162.12882 139.9
[M+Na-2H]- 184.11077 145.0
[M]+ 163.13555 140.1
[M]- 163.13665 140.1
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