CID 13139995

5-methyl-5-nonyl-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C15H29N
SMILES
CCCCCCCCCC1(CCCN=C1)C
InChI
InChI=1S/C15H29N/c1-3-4-5-6-7-8-9-11-15(2)12-10-13-16-14-15/h14H,3-13H2,1-2H3
InChIKey
OUPYZMGXEVRCJU-UHFFFAOYSA-N
Compound name
5-methyl-5-nonyl-3,4-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.23 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.23728 158.4
[M+Na]+ 246.21922 162.0
[M-H]- 222.22272 158.9
[M+NH4]+ 241.26382 177.3
[M+K]+ 262.19316 159.4
[M+H-H2O]+ 206.22726 151.4
[M+HCOO]- 268.22820 176.8
[M+CH3COO]- 282.24385 192.5
[M+Na-2H]- 244.20467 162.5
[M]+ 223.22945 158.4
[M]- 223.23055 158.4
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

No patent data available for this compound.