CID 65505640

1224605-39-3

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)CN

InChI

InChI=1S/C12H16N2O/c13-9-12(15)14-8-4-3-6-10-5-1-2-7-11(10)14/h1-2,5,7H,3-4,6,8-9,13H2

InChIKey

AOKUXSUNOZPFPK-UHFFFAOYSA-N

Compound name

2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.12627 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.13355	142.6
[M+Na]+	227.11549	147.0
[M-H]-	203.11899	145.9
[M+NH4]+	222.16009	159.6
[M+K]+	243.08943	148.4
[M+H-H2O]+	187.12353	136.2
[M+HCOO]-	249.12447	161.2
[M+CH3COO]-	263.14012	189.2
[M+Na-2H]-	225.10094	147.8
[M]+	204.12572	135.9
[M]-	204.12682	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe