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
2
Annotation Hits

0
References

67
Patents

177.15175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.8
[M+Na]+ 200.14097 155.4
[M+NH4]+ 195.18557 150.8
[M+K]+ 216.11491 147.0
[M-H]- 176.14447 144.4
[M+Na-2H]- 198.12642 149.3
[M]+ 177.15120 144.6
[M]- 177.15230 144.6
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

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