CID 115901

63938-99-8

Structural Information

Molecular Formula

C₆H₁₄NO₂

SMILES

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

InChI

InChI=1S/C6H14NO2/c1-7(2,3)4-5-9-6-8/h6H,4-5H2,1-3H3/q+1

InChIKey

AHIAAMACVBSQTR-UHFFFAOYSA-N

Compound name

2-formyloxyethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 194
Patents: 132.10245 Da
Monoisotopic Mass: 0.2
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]+	133.10973	123.9
[M+Na]+	155.09167	131.6
[M-H]-	131.09517	126.3
[M+NH4]+	150.13627	146.6
[M+K]+	171.06561	127.3
[M+H-H2O]+	115.09971	122.6
[M+HCOO]-	177.10065	149.1
[M+CH3COO]-	191.11630	171.3
[M+Na-2H]-	153.07712	135.1
[M]+	132.10190	126.4
[M]-	132.10300	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe