CID 202670

13078-86-9

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N2O2/c1-7(10)6-8-2-4-9(5-3-8)11(12)13/h2-5,7H,6,10H2,1H3

InChIKey

CQVVPZKXDRZYBM-UHFFFAOYSA-N

Compound name

1-(4-nitrophenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 180.08987 Da
Monoisotopic Mass: 2.0
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]+	181.09715	136.8
[M+Na]+	203.07909	148.8
[M+NH4]+	198.12369	145.0
[M+K]+	219.05303	145.8
[M-H]-	179.08259	140.5
[M+Na-2H]-	201.06454	143.0
[M]+	180.08932	139.3
[M]-	180.09042	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe