CID 55279909

(2r,6s)-2,6-dimethylmorpholine-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H12ClNO3S
SMILES
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKey
IOHUKINMPIUAFU-OLQVQODUSA-N
Compound name
(2R,6S)-2,6-dimethylmorpholine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

213.02264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02992 139.7
[M+Na]+ 236.01186 148.5
[M-H]- 212.01536 143.0
[M+NH4]+ 231.05646 157.5
[M+K]+ 251.98580 146.9
[M+H-H2O]+ 196.01990 135.3
[M+HCOO]- 258.02084 148.5
[M+CH3COO]- 272.03649 180.8
[M+Na-2H]- 233.99731 143.2
[M]+ 213.02209 142.4
[M]- 213.02319 142.4
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

patents stripe