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

132
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 136.8
[M+Na]+ 186.12532 144.4
[M-H]- 162.12882 138.9
[M+NH4]+ 181.16992 156.7
[M+K]+ 202.09926 142.0
[M+H-H2O]+ 146.13336 130.3
[M+HCOO]- 208.13430 159.5
[M+CH3COO]- 222.14995 181.3
[M+Na-2H]- 184.11077 143.5
[M]+ 163.13555 138.4
[M]- 163.13665 138.4
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