CID 19760258

53841-98-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CN1C(=O)CCCC2=C1C=CC(=C2)N

InChI

InChI=1S/C11H14N2O/c1-13-10-6-5-9(12)7-8(10)3-2-4-11(13)14/h5-7H,2-4,12H2,1H3

InChIKey

ZFEPNHZKFHMDPN-UHFFFAOYSA-N

Compound name

7-amino-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 190.11061 Da
Monoisotopic Mass: 0.9
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]+	191.11789	138.1
[M+Na]+	213.09983	144.9
[M-H]-	189.10333	142.3
[M+NH4]+	208.14443	156.3
[M+K]+	229.07377	146.3
[M+H-H2O]+	173.10787	132.2
[M+HCOO]-	235.10881	158.0
[M+CH3COO]-	249.12446	188.3
[M+Na-2H]-	211.08528	143.6
[M]+	190.11006	132.6
[M]-	190.11116	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe