CID 3058700

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

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C)CCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C13H20N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKey
RDNBJISVKCCHBQ-UHFFFAOYSA-N
Compound name
6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.9
[M+Na]+ 227.15186 161.9
[M+NH4]+ 222.19646 158.0
[M+K]+ 243.12580 154.1
[M-H]- 203.15536 151.2
[M+Na-2H]- 225.13731 154.9
[M]+ 204.16209 151.4
[M]- 204.16319 151.4
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.