CID 56832777

1310357-40-4

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1CC(C2=C(C=CC(=C2)Cl)NC1)O

InChI

InChI=1S/C10H12ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2

InChIKey

LRWLHLZOYPURQQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.06075 Da
Monoisotopic Mass: 2.2
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]+	198.068026	136.8
[M+Na]+	220.049968	144.2
[M-H]-	196.053474	138.1
[M+NH4]+	215.094573	154.6
[M+K]+	236.023908	143.1
[M+H-H2O]+	180.058010	131.8
[M+HCOO]-	242.058951	149.4
[M+CH3COO]-	256.074601	148.3
[M+Na-2H]-	218.035416	142.8
[M]+	197.06020142	131.0
[M]-	197.06129858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe