CID 55276691

2,3,4,5-tetrahydro-1h-3-benzazepin-1-amine dihydrobromide

Structural Information

Molecular Formula
C10H14N2
SMILES
C1CNCC(C2=CC=CC=C21)N
InChI
InChI=1S/C10H14N2/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7,11H2
InChIKey
HHUBTWXIUNJDHO-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-3-benzazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

162.11569 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 132.0
[M+Na]+ 185.10491 136.8
[M-H]- 161.10841 134.3
[M+NH4]+ 180.14951 150.1
[M+K]+ 201.07885 137.3
[M+H-H2O]+ 145.11295 126.3
[M+HCOO]- 207.11389 150.4
[M+CH3COO]- 221.12954 143.5
[M+Na-2H]- 183.09036 138.9
[M]+ 162.11514 123.0
[M]- 162.11624 123.0
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