CID 11447911

374813-35-1

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC2=C(CNC1)C=C(C=C2)O

InChI

InChI=1S/C10H13NO/c12-10-4-3-8-2-1-5-11-7-9(8)6-10/h3-4,6,11-12H,1-2,5,7H2

InChIKey

ASPWWXIBCWONIM-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydro-1H-2-benzazepin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 163.09972 Da
Monoisotopic Mass: 1.3
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]+	164.106996	131.2
[M+Na]+	186.088938	136.2
[M-H]-	162.092444	132.6
[M+NH4]+	181.133543	149.1
[M+K]+	202.062878	136.7
[M+H-H2O]+	146.096980	126.1
[M+HCOO]-	208.097921	148.0
[M+CH3COO]-	222.113571	142.6
[M+Na-2H]-	184.074386	138.3
[M]+	163.09917142	123.3
[M]-	163.10026858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe