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 153.4
[M+Na]+ 241.16752 159.0
[M-H]- 217.17102 153.8
[M+NH4]+ 236.21212 170.2
[M+K]+ 257.14146 155.1
[M+H-H2O]+ 201.17556 144.9
[M+HCOO]- 263.17650 170.6
[M+CH3COO]- 277.19215 191.0
[M+Na-2H]- 239.15297 159.4
[M]+ 218.17775 152.3
[M]- 218.17885 152.3
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

patents stripe