CID 3016128

3-quinolinecarboxaldehyde, oxime

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC=C2C(=C1)C=C(C=N2)C=NO

InChI

InChI=1S/C10H8N2O/c13-12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7,13H

InChIKey

UDWKFPQPWSWXHC-UHFFFAOYSA-N

Compound name

N-(quinolin-3-ylmethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 172.06366 Da
Monoisotopic Mass: 2.3
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]+	173.070936	132.6
[M+Na]+	195.052878	141.6
[M-H]-	171.056384	136.1
[M+NH4]+	190.097483	152.5
[M+K]+	211.026818	138.3
[M+H-H2O]+	155.060920	125.7
[M+HCOO]-	217.061861	157.0
[M+CH3COO]-	231.077511	180.8
[M+Na-2H]-	193.038326	143.5
[M]+	172.06311142	132.5
[M]-	172.06420858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe