CID 17930126

1023813-80-0

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CC2=C(NC1)N=CC(=C2)Br
InChI
InChI=1S/C8H9BrN2/c9-7-4-6-2-1-3-10-8(6)11-5-7/h4-5H,1-3H2,(H,10,11)
InChIKey
OVYOPQIKOHSBSV-UHFFFAOYSA-N
Compound name
6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

211.9949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 136.9
[M+Na]+ 234.98412 147.7
[M-H]- 210.98762 139.8
[M+NH4]+ 230.02872 157.0
[M+K]+ 250.95806 136.0
[M+H-H2O]+ 194.99216 136.6
[M+HCOO]- 256.99310 152.6
[M+CH3COO]- 271.00875 150.7
[M+Na-2H]- 232.96957 146.6
[M]+ 211.99435 150.9
[M]- 211.99545 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