CID 43541990

3-methylmorpholine-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H10ClNO3S
SMILES
CC1COCCN1S(=O)(=O)Cl
InChI
InChI=1S/C5H10ClNO3S/c1-5-4-10-3-2-7(5)11(6,8)9/h5H,2-4H2,1H3
InChIKey
DCMYXTWQZNNSDO-UHFFFAOYSA-N
Compound name
3-methylmorpholine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00699 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01427 135.7
[M+Na]+ 221.99621 144.1
[M-H]- 197.99971 138.8
[M+NH4]+ 217.04081 153.8
[M+K]+ 237.97015 142.7
[M+H-H2O]+ 182.00425 131.2
[M+HCOO]- 244.00519 144.8
[M+CH3COO]- 258.02084 176.6
[M+Na-2H]- 219.98166 140.3
[M]+ 199.00644 137.6
[M]- 199.00754 137.6
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.