CID 4071453

4-(ethylsulfonyl)morpholine

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CCS(=O)(=O)N1CCOCC1

InChI

InChI=1S/C6H13NO3S/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3

InChIKey

VRLFSDPSKRPQTR-UHFFFAOYSA-N

Compound name

4-ethylsulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 179.06161 Da
Monoisotopic Mass: -0.5
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]+	180.068886	135.0
[M+Na]+	202.050828	141.7
[M-H]-	178.054334	137.6
[M+NH4]+	197.095433	152.8
[M+K]+	218.024768	141.8
[M+H-H2O]+	162.058870	129.3
[M+HCOO]-	224.059811	148.5
[M+CH3COO]-	238.075461	174.6
[M+Na-2H]-	200.036276	140.2
[M]+	179.06106142	135.2
[M]-	179.06215858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe