CID 24173

7541-76-6

Structural Information

Molecular Formula

C₁₀H₁₄NO

SMILES

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

InChI

InChI=1S/C10H14NO/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3/q+1

InChIKey

DPICUSGMCNPSSA-UHFFFAOYSA-N

Compound name

(4-formylphenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 148
Patents: 164.10754 Da
Monoisotopic Mass: 1.4
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]+	165.11482	132.6
[M+Na]+	187.09676	147.6
[M+NH4]+	182.14136	142.9
[M+K]+	203.07070	141.6
[M-H]-	163.10026	137.5
[M+Na-2H]-	185.08221	141.9
[M]+	164.10699	136.6
[M]-	164.10809	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe