CID 83696073

2-(methanesulfonylmethyl)morpholine hydrochloride

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CS(=O)(=O)CC1CNCCO1
InChI
InChI=1S/C6H13NO3S/c1-11(8,9)5-6-4-7-2-3-10-6/h6-7H,2-5H2,1H3
InChIKey
LOBZKQDPMWPLCG-UHFFFAOYSA-N
Compound name
2-(methylsulfonylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.06161 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 135.7
[M+Na]+ 202.05083 141.8
[M-H]- 178.05433 136.7
[M+NH4]+ 197.09543 152.7
[M+K]+ 218.02477 140.9
[M+H-H2O]+ 162.05887 130.2
[M+HCOO]- 224.05981 147.6
[M+CH3COO]- 238.07546 172.0
[M+Na-2H]- 200.03628 140.4
[M]+ 179.06106 134.0
[M]- 179.06216 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.