CID 22611416

1087719-23-0

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-9(2,10)7-3-5-8(6-4-7)11(12)13/h3-6H,10H2,1-2H3

InChIKey

HHLRHCXMURYDHN-UHFFFAOYSA-N

Compound name

2-(4-nitrophenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 180.08987 Da
Monoisotopic Mass: 1.1
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]+	181.09715	136.1
[M+Na]+	203.07909	143.0
[M-H]-	179.08259	139.8
[M+NH4]+	198.12369	155.1
[M+K]+	219.05303	137.3
[M+H-H2O]+	163.08713	135.4
[M+HCOO]-	225.08807	160.8
[M+CH3COO]-	239.10372	177.9
[M+Na-2H]-	201.06454	144.8
[M]+	180.08932	133.1
[M]-	180.09042	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe