CID 35633

Dimethyl(2-hydroxyethyl)propylammonium iodide acetate

Structural Information

Molecular Formula

C₉H₂₀NO₂

SMILES

CCC[N+](C)(C)CCOC(=O)C

InChI

InChI=1S/C9H20NO2/c1-5-6-10(3,4)7-8-12-9(2)11/h5-8H2,1-4H3/q+1

InChIKey

HMCMTYKMIANBLK-UHFFFAOYSA-N

Compound name

2-acetyloxyethyl-dimethyl-propylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.1494 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]+	175.156676	138.3
[M+Na]+	197.138618	144.5
[M-H]-	173.142124	140.2
[M+NH4]+	192.183223	159.4
[M+K]+	213.112558	139.9
[M+H-H2O]+	157.146660	136.5
[M+HCOO]-	219.147601	161.5
[M+CH3COO]-	233.163251	180.4
[M+Na-2H]-	195.124066	146.6
[M]+	174.14885142	141.1
[M]-	174.14994858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe