CID 26611

Betaine methyl ester bromide

Structural Information

Molecular Formula

C₆H₁₄NO₂

SMILES

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

InChI

InChI=1S/C6H14NO2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3/q+1

InChIKey

HEOCEPWJGJTVPO-UHFFFAOYSA-N

Compound name

(2-methoxy-2-oxoethyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
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	125.0
[M+Na]+	155.09167	136.8
[M+NH4]+	150.13627	134.0
[M+K]+	171.06561	133.2
[M-H]-	131.09517	126.4
[M+Na-2H]-	153.07712	130.4
[M]+	132.10190	127.3
[M]-	132.10300	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe