CID 3058693

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

Structural Information

Molecular Formula
C13H20N2
SMILES
CCCCCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C13H20N2/c1-2-3-4-9-15-10-7-13-12(11-15)6-5-8-14-13/h5-6,8H,2-4,7,9-11H2,1H3
InChIKey
UFSLDTDRRBRQGM-UHFFFAOYSA-N
Compound name
6-pentyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.9
[M+Na]+ 227.15186 154.9
[M-H]- 203.15536 149.4
[M+NH4]+ 222.19646 166.3
[M+K]+ 243.12580 151.3
[M+H-H2O]+ 187.15990 140.5
[M+HCOO]- 249.16084 166.4
[M+CH3COO]- 263.17649 188.0
[M+Na-2H]- 225.13731 155.4
[M]+ 204.16209 147.4
[M]- 204.16319 147.4
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

patents stripe