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
3
Annotation Hits

0
References

165
Patents

163.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.8
[M+Na]+ 186.125318 144.4
[M-H]- 162.128824 138.9
[M+NH4]+ 181.169923 156.7
[M+K]+ 202.099258 142.0
[M+H-H2O]+ 146.133360 130.3
[M+HCOO]- 208.134301 159.5
[M+CH3COO]- 222.149951 181.3
[M+Na-2H]- 184.110766 143.5
[M]+ 163.13555142 138.4
[M]- 163.13664858 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