CID 59447547

9-bromo-2,3,4,5-tetrahydro-1h-2-benzazepine hydrochloride

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC2=C(CNC1)C(=CC=C2)Br
InChI
InChI=1S/C10H12BrN/c11-10-5-1-3-8-4-2-6-12-7-9(8)10/h1,3,5,12H,2,4,6-7H2
InChIKey
MOWSELWMYMXVBE-UHFFFAOYSA-N
Compound name
9-bromo-2,3,4,5-tetrahydro-1H-2-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

225.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 138.7
[M+Na]+ 248.00452 147.2
[M-H]- 224.00802 143.8
[M+NH4]+ 243.04912 158.4
[M+K]+ 263.97846 139.6
[M+H-H2O]+ 208.01256 139.5
[M+HCOO]- 270.01350 154.7
[M+CH3COO]- 284.02915 152.0
[M+Na-2H]- 245.98997 146.9
[M]+ 225.01475 149.3
[M]- 225.01585 149.3
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