CID 42067

56962-68-6

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₄

SMILES

C1CCC(CC1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O4/c18-15-14(17(19)20)13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-15/h4-5,8-10,16H,1-3,6-7H2

InChIKey

KJQQNAKIGJWQDB-UHFFFAOYSA-N

Compound name

4-(cyclohexylamino)-3-nitrochromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.111 Da
Monoisotopic Mass: 4.0
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]+	289.118276	161.1
[M+Na]+	311.100218	165.7
[M-H]-	287.103724	168.7
[M+NH4]+	306.144823	174.6
[M+K]+	327.074158	159.4
[M+H-H2O]+	271.108260	157.3
[M+HCOO]-	333.109201	182.1
[M+CH3COO]-	347.124851	197.2
[M+Na-2H]-	309.085666	169.3
[M]+	288.11045142	157.1
[M]-	288.11154858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe