CID 120262

473-51-8

Structural Information

Molecular Formula
C7H17NO8S3
SMILES
CS(=O)(=O)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
InChI
InChI=1S/C7H17NO8S3/c1-17(9,10)8(4-6-15-18(2,11)12)5-7-16-19(3,13)14/h4-7H2,1-3H3
InChIKey
NHJZTRHHRQMLDA-UHFFFAOYSA-N
Compound name
2-[methylsulfonyl(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

339.01163 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01891 174.2
[M+Na]+ 362.00085 178.7
[M-H]- 338.00435 173.4
[M+NH4]+ 357.04545 186.6
[M+K]+ 377.97479 175.2
[M+H-H2O]+ 322.00889 167.2
[M+HCOO]- 384.00983 179.6
[M+CH3COO]- 398.02548 204.5
[M+Na-2H]- 359.98630 178.9
[M]+ 339.01108 182.2
[M]- 339.01218 182.2
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