CID 44858

Methyl-gamma-morpholinobutyrate, hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

COC(=O)CCCN1CCOCC1

InChI

InChI=1S/C9H17NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-8H2,1H3

InChIKey

QZYHXBPEHSABEW-UHFFFAOYSA-N

Compound name

methyl 4-morpholin-4-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 187.12085 Da
Monoisotopic Mass: 0.1
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]+	188.12813	142.5
[M+Na]+	210.11007	146.8
[M-H]-	186.11357	144.1
[M+NH4]+	205.15467	159.2
[M+K]+	226.08401	147.9
[M+H-H2O]+	170.11811	135.5
[M+HCOO]-	232.11905	160.4
[M+CH3COO]-	246.13470	180.4
[M+Na-2H]-	208.09552	147.4
[M]+	187.12030	142.1
[M]-	187.12140	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe