CID 27120

P-nitrophenyltrimethylammonium chloride

Structural Information

Molecular Formula

C₉H₁₃N₂O₂

SMILES

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

InChI

InChI=1S/C9H13N2O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3/q+1

InChIKey

TVNCBHOGHRNADZ-UHFFFAOYSA-N

Compound name

trimethyl-(4-nitrophenyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 181.0977 Da
Monoisotopic Mass: 1.8
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]+	182.10498	135.4
[M+Na]+	204.08692	142.4
[M-H]-	180.09042	141.0
[M+NH4]+	199.13152	154.9
[M+K]+	220.06086	132.4
[M+H-H2O]+	164.09496	137.3
[M+HCOO]-	226.09590	161.3
[M+CH3COO]-	240.11155	175.7
[M+Na-2H]-	202.07237	147.7
[M]+	181.09715	133.5
[M]-	181.09825	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe