CID 86646

9-anthracenecarboxaldehyde, oxime

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NO

InChI

InChI=1S/C15H11NO/c17-16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10,17H

InChIKey

HLGMTCSSRBPNOQ-UHFFFAOYSA-N

Compound name

N-(anthracen-9-ylmethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 221.08406 Da
Monoisotopic Mass: 4.3
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]+	222.09134	144.5
[M+Na]+	244.07328	154.6
[M-H]-	220.07678	150.6
[M+NH4]+	239.11788	165.0
[M+K]+	260.04722	149.4
[M+H-H2O]+	204.08132	137.6
[M+HCOO]-	266.08226	169.7
[M+CH3COO]-	280.09791	158.4
[M+Na-2H]-	242.05873	156.0
[M]+	221.08351	146.2
[M]-	221.08461	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe