CID 4645420

1-methoxy-3-(morpholin-4-yl)propan-2-ol

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

COCC(CN1CCOCC1)O

InChI

InChI=1S/C8H17NO3/c1-11-7-8(10)6-9-2-4-12-5-3-9/h8,10H,2-7H2,1H3

InChIKey

DLSNTVMQVUYYRE-UHFFFAOYSA-N

Compound name

1-methoxy-3-morpholin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 175.12085 Da
Monoisotopic Mass: -0.9
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]+	176.12813	139.4
[M+Na]+	198.11007	148.6
[M+NH4]+	193.15467	146.4
[M+K]+	214.08401	144.5
[M-H]-	174.11357	140.4
[M+Na-2H]-	196.09552	142.3
[M]+	175.12030	140.6
[M]-	175.12140	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe