CID 198819

1-propanol, 3,3'-(ethylimino)di-, dimethanesulfonate (ester), hydrochloride

Structural Information

Molecular Formula
C10H23NO6S2
SMILES
CCN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C
InChI
InChI=1S/C10H23NO6S2/c1-4-11(7-5-9-16-18(2,12)13)8-6-10-17-19(3,14)15/h4-10H2,1-3H3
InChIKey
JDOVTLKVLSSUEN-UHFFFAOYSA-N
Compound name
3-[ethyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09668 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10396 170.6
[M+Na]+ 340.08590 175.3
[M-H]- 316.08940 170.9
[M+NH4]+ 335.13050 185.3
[M+K]+ 356.05984 173.4
[M+H-H2O]+ 300.09394 163.8
[M+HCOO]- 362.09488 182.1
[M+CH3COO]- 376.11053 205.1
[M+Na-2H]- 338.07135 172.7
[M]+ 317.09613 180.6
[M]- 317.09723 180.6
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.