CID 14275516

Schembl4667382

Structural Information

Molecular Formula

C₇H₁₅NO₅S

SMILES

C1COC(CN1CCCS(=O)(=O)O)O

InChI

InChI=1S/C7H15NO5S/c9-7-6-8(3-4-13-7)2-1-5-14(10,11)12/h7,9H,1-6H2,(H,10,11,12)

InChIKey

CANGTLVPGKBIDF-UHFFFAOYSA-N

Compound name

3-(2-hydroxymorpholin-4-yl)propane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 225.0671 Da
Monoisotopic Mass: -3.7
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]+	226.074376	146.0
[M+Na]+	248.056318	151.6
[M-H]-	224.059824	145.5
[M+NH4]+	243.100923	160.4
[M+K]+	264.030258	150.5
[M+H-H2O]+	208.064360	140.3
[M+HCOO]-	270.065301	156.4
[M+CH3COO]-	284.080951	178.2
[M+Na-2H]-	246.041766	149.5
[M]+	225.06655142	146.0
[M]-	225.06764858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe