CID 115225

N-hydroxy-6-aminochrysene

Structural Information

Molecular Formula

C₁₈H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NO

InChI

InChI=1S/C18H13NO/c20-19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19-20H

InChIKey

DDEXKYQWZJEPRX-UHFFFAOYSA-N

Compound name

N-chrysen-6-ylhydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 259.0997 Da
Monoisotopic Mass: 5.2
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]+	260.106976	153.7
[M+Na]+	282.088918	163.7
[M-H]-	258.092424	159.4
[M+NH4]+	277.133523	172.8
[M+K]+	298.062858	157.1
[M+H-H2O]+	242.096960	146.2
[M+HCOO]-	304.097901	175.6
[M+CH3COO]-	318.113551	166.4
[M+Na-2H]-	280.074366	165.5
[M]+	259.09915142	154.4
[M]-	259.10024858	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.