CID 197180

2-isopropoxynitrobenzene

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)OC1=CC=CC=C1[N+](=O)[O-]

InChI

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

InChIKey

YGURTOHWDPSBAA-UHFFFAOYSA-N

Compound name

1-nitro-2-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 87
Patents: 181.0739 Da
Monoisotopic Mass: 2.5
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	135.8
[M+Na]+	204.06312	149.0
[M+NH4]+	199.10772	144.2
[M+K]+	220.03706	145.9
[M-H]-	180.06662	139.1
[M+Na-2H]-	202.04857	142.4
[M]+	181.07335	138.5
[M]-	181.07445	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe