CID 19818

3921-92-4

Structural Information

Molecular Formula

C₁₀H₁₈NO

SMILES

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

InChI

InChI=1S/C10H18NO/c1-10(12)8-6-5-7-9-11(2,3)4/h6,8-9H2,1-4H3/q+1

InChIKey

HHALPLVLVFKYJR-UHFFFAOYSA-N

Compound name

trimethyl(6-oxohept-2-ynyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.13884 Da
Monoisotopic Mass: 0.5
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]+	169.14612	140.0
[M+Na]+	191.12806	148.3
[M-H]-	167.13156	141.2
[M+NH4]+	186.17266	159.1
[M+K]+	207.10200	142.5
[M+H-H2O]+	151.13610	132.1
[M+HCOO]-	213.13704	157.2
[M+CH3COO]-	227.15269	187.6
[M+Na-2H]-	189.11351	146.5
[M]+	168.13829	135.7
[M]-	168.13939	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.