CID 294798

19301-11-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CNCC(C2=CC=CC=C21)O

InChI

InChI=1S/C10H13NO/c12-10-7-11-6-5-8-3-1-2-4-9(8)10/h1-4,10-12H,5-7H2

InChIKey

YNLHBGLBJHVNTK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 163.09972 Da
Monoisotopic Mass: 0.7
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]+	164.10700	131.2
[M+Na]+	186.08894	136.2
[M-H]-	162.09244	132.6
[M+NH4]+	181.13354	149.1
[M+K]+	202.06288	136.7
[M+H-H2O]+	146.09698	126.1
[M+HCOO]-	208.09792	148.0
[M+CH3COO]-	222.11357	142.6
[M+Na-2H]-	184.07439	138.3
[M]+	163.09917	123.3
[M]-	163.10027	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe