CID 6447455

6-(2-octenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C16H24N2
SMILES
CCCCC/C=C/CN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C16H24N2/c1-2-3-4-5-6-7-12-18-13-10-16-15(14-18)9-8-11-17-16/h6-9,11H,2-5,10,12-14H2,1H3/b7-6+
InChIKey
KNKSZGSJKPXRGF-VOTSOKGWSA-N
Compound name
6-[(E)-oct-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 161.5
[M+Na]+ 267.18317 166.5
[M-H]- 243.18667 161.5
[M+NH4]+ 262.22777 177.2
[M+K]+ 283.15711 161.6
[M+H-H2O]+ 227.19121 152.6
[M+HCOO]- 289.19215 178.2
[M+CH3COO]- 303.20780 195.5
[M+Na-2H]- 265.16862 166.4
[M]+ 244.19340 160.3
[M]- 244.19450 160.3
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