CID 72214437

5-bromo-1,2,3,4-tetrahydro-2,7-naphthyridine dihydrochloride

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CNCC2=CN=CC(=C21)Br
InChI
InChI=1S/C8H9BrN2/c9-8-5-11-4-6-3-10-2-1-7(6)8/h4-5,10H,1-3H2
InChIKey
GQQJGWKMNGJWFY-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,4-tetrahydro-2,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 136.9
[M+Na]+ 234.984118 147.7
[M-H]- 210.987624 139.8
[M+NH4]+ 230.028723 157.0
[M+K]+ 250.958058 136.0
[M+H-H2O]+ 194.992160 136.6
[M+HCOO]- 256.993101 152.6
[M+CH3COO]- 271.008751 150.7
[M+Na-2H]- 232.969566 146.6
[M]+ 211.99435142 150.9
[M]- 211.99544858 150.9
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