CID 522401

5-hexyl-2-methylpyridine

Structural Information

Molecular Formula
C12H19N
SMILES
CCCCCCC1=CN=C(C=C1)C
InChI
InChI=1S/C12H19N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-7H2,1-2H3
InChIKey
CVQOAKGVDNOWHA-UHFFFAOYSA-N
Compound name
5-hexyl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

79
Patents

177.15175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.5
[M+Na]+ 200.140968 148.6
[M-H]- 176.144474 143.3
[M+NH4]+ 195.185573 160.8
[M+K]+ 216.114908 146.0
[M+H-H2O]+ 160.149010 134.7
[M+HCOO]- 222.149951 163.8
[M+CH3COO]- 236.165601 184.3
[M+Na-2H]- 198.126416 147.6
[M]+ 177.15120142 143.4
[M]- 177.15229858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe