CID 135507614

58509-59-4

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1CC2=C(/C(=N/O)/C1)N=CC=C2

InChI

InChI=1S/C9H10N2O/c12-11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6,12H,1,3,5H2/b11-8+

InChIKey

CDBBPOISMDNVNQ-DHZHZOJOSA-N

Compound name

(NE)-N-(6,7-dihydro-5H-quinolin-8-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 162.07932 Da
Monoisotopic Mass: 1.5
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]+	163.08660	131.0
[M+Na]+	185.06854	138.2
[M-H]-	161.07204	133.9
[M+NH4]+	180.11314	151.1
[M+K]+	201.04248	135.6
[M+H-H2O]+	145.07658	124.2
[M+HCOO]-	207.07752	152.8
[M+CH3COO]-	221.09317	178.5
[M+Na-2H]-	183.05399	140.3
[M]+	162.07877	127.6
[M]-	162.07987	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe