CID 6447455

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

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]+ 245.201226 161.5
[M+Na]+ 267.183168 166.5
[M-H]- 243.186674 161.5
[M+NH4]+ 262.227773 177.2
[M+K]+ 283.157108 161.6
[M+H-H2O]+ 227.191210 152.6
[M+HCOO]- 289.192151 178.2
[M+CH3COO]- 303.207801 195.5
[M+Na-2H]- 265.168616 166.4
[M]+ 244.19340142 160.3
[M]- 244.19449858 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