CID 43394

(4,4-dimethyl-3-oxopentyl)trimethylammonium iodide

Structural Information

Molecular Formula

C₁₀H₂₂NO

SMILES

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

InChI

InChI=1S/C10H22NO/c1-10(2,3)9(12)7-8-11(4,5)6/h7-8H2,1-6H3/q+1

InChIKey

VFPRJOGWAWZGCZ-UHFFFAOYSA-N

Compound name

(4,4-dimethyl-3-oxopentyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.17014 Da
Monoisotopic Mass: 1.3
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]+	173.17742	137.2
[M+Na]+	195.15936	143.6
[M-H]-	171.16286	139.4
[M+NH4]+	190.20396	158.6
[M+K]+	211.13330	138.8
[M+H-H2O]+	155.16740	136.2
[M+HCOO]-	217.16834	158.4
[M+CH3COO]-	231.18399	181.9
[M+Na-2H]-	193.14481	146.1
[M]+	172.16959	138.5
[M]-	172.17069	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe