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

72
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 141.5
[M+Na]+ 200.14097 148.6
[M-H]- 176.14447 143.3
[M+NH4]+ 195.18557 160.8
[M+K]+ 216.11491 146.0
[M+H-H2O]+ 160.14901 134.7
[M+HCOO]- 222.14995 163.8
[M+CH3COO]- 236.16560 184.3
[M+Na-2H]- 198.12642 147.6
[M]+ 177.15120 143.4
[M]- 177.15230 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