CID 5760311

663-804-6

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

COC(=O)C1=CC=CC\2=C1C3=CC=CC=C3/C2=N\O

InChI

InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,18H,1H3/b16-14+

InChIKey

NGVLXRBIJYFIFM-JQIJEIRASA-N

Compound name

methyl (9E)-9-hydroxyiminofluorene-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 253.0739 Da
Monoisotopic Mass: 3.2
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]+	254.08118	153.5
[M+Na]+	276.06312	163.0
[M-H]-	252.06662	159.7
[M+NH4]+	271.10772	174.5
[M+K]+	292.03706	159.3
[M+H-H2O]+	236.07116	147.4
[M+HCOO]-	298.07210	177.5
[M+CH3COO]-	312.08775	196.9
[M+Na-2H]-	274.04857	159.5
[M]+	253.07335	156.4
[M]-	253.07445	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe