CID 23518391

Nh2-peg2-methyl acetate hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₄

SMILES

COC(=O)COCCOCCN

InChI

InChI=1S/C7H15NO4/c1-10-7(9)6-12-5-4-11-3-2-8/h2-6,8H2,1H3

InChIKey

VCBYEYGFAFFNFT-UHFFFAOYSA-N

Compound name

methyl 2-[2-(2-aminoethoxy)ethoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 177.10011 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]+	178.10739	138.2
[M+Na]+	200.08933	144.1
[M-H]-	176.09283	137.6
[M+NH4]+	195.13393	157.7
[M+K]+	216.06327	144.9
[M+H-H2O]+	160.09737	132.4
[M+HCOO]-	222.09831	162.2
[M+CH3COO]-	236.11396	181.6
[M+Na-2H]-	198.07478	142.6
[M]+	177.09956	142.4
[M]-	177.10066	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe