CID 44178390

425663-71-4

Structural Information

Molecular Formula
C11H14N2O
SMILES
CN1CCC2=CC=CC=C2[C@@H](C1=O)N
InChI
InChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1
InChIKey
RETLCOJLSHBJEZ-JTQLQIEISA-N
Compound name
(5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

190.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 138.1
[M+Na]+ 213.099828 144.9
[M-H]- 189.103334 142.3
[M+NH4]+ 208.144433 156.3
[M+K]+ 229.073768 146.3
[M+H-H2O]+ 173.107870 132.2
[M+HCOO]- 235.108811 158.0
[M+CH3COO]- 249.124461 188.3
[M+Na-2H]- 211.085276 143.6
[M]+ 190.11006142 132.6
[M]- 190.11115858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe