CID 16244477

17537-86-9

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC2=C(CCCCN2)C=C1

InChI

InChI=1S/C11H15NO/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10/h5-6,8,12H,2-4,7H2,1H3

InChIKey

YOWUBTLYNPKOQO-UHFFFAOYSA-N

Compound name

8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 177.11537 Da
Monoisotopic Mass: 2.6
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]+	178.12265	134.9
[M+Na]+	200.10459	139.9
[M-H]-	176.10809	137.4
[M+NH4]+	195.14919	152.9
[M+K]+	216.07853	140.9
[M+H-H2O]+	160.11263	129.4
[M+HCOO]-	222.11357	152.8
[M+CH3COO]-	236.12922	146.6
[M+Na-2H]-	198.09004	141.9
[M]+	177.11482	129.0
[M]-	177.11592	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe