CID 81657

P-nitrophenyl propyl ether

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CCCOC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H11NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3

InChIKey

AWOXUNCNGSHHSP-UHFFFAOYSA-N

Compound name

1-nitro-4-propoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 181.0739 Da
Monoisotopic Mass: 3.1
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]+	182.08118	135.9
[M+Na]+	204.06312	149.4
[M+NH4]+	199.10772	144.4
[M+K]+	220.03706	145.5
[M-H]-	180.06662	139.4
[M+Na-2H]-	202.04857	142.9
[M]+	181.07335	138.7
[M]-	181.07445	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe