CID 3058698

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-hexyl-

Structural Information

Molecular Formula
C14H22N2
SMILES
CCCCCCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C14H22N2/c1-2-3-4-5-10-16-11-8-14-13(12-16)7-6-9-15-14/h6-7,9H,2-5,8,10-12H2,1H3
InChIKey
MVINEJKFZSGOGA-UHFFFAOYSA-N
Compound name
6-hexyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.6
[M+Na]+ 241.16752 166.7
[M+NH4]+ 236.21212 162.6
[M+K]+ 257.14146 157.8
[M-H]- 217.17102 156.0
[M+Na-2H]- 239.15297 159.6
[M]+ 218.17775 156.1
[M]- 218.17885 156.1
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.