CID 165796483

2518136-84-8

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C[C@H]1CN(CCC2=C1C=C(C=C2)Cl)N=O

InChI

InChI=1S/C11H13ClN2O/c1-8-7-14(13-15)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1

InChIKey

POOKTNWLAMHIKQ-QMMMGPOBSA-N

Compound name

(5R)-7-chloro-5-methyl-3-nitroso-1,2,4,5-tetrahydro-3-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.07164 Da
Monoisotopic Mass: 3.1
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]+	225.078916	144.0
[M+Na]+	247.060858	152.5
[M-H]-	223.064364	149.4
[M+NH4]+	242.105463	162.6
[M+K]+	263.034798	153.2
[M+H-H2O]+	207.068900	137.7
[M+HCOO]-	269.069841	161.6
[M+CH3COO]-	283.085491	194.9
[M+Na-2H]-	245.046306	150.4
[M]+	224.07109142	142.9
[M]-	224.07218858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.