CID 198161

Methylbis(3-mesyloxypropyl)amine hydrochloride

Structural Information

Molecular Formula
C9H21NO6S2
SMILES
CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C
InChI
InChI=1S/C9H21NO6S2/c1-10(6-4-8-15-17(2,11)12)7-5-9-16-18(3,13)14/h4-9H2,1-3H3
InChIKey
YODYTTBZSKJAKD-UHFFFAOYSA-N
Compound name
3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

303.08102 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08830 166.4
[M+Na]+ 326.07024 171.5
[M-H]- 302.07374 166.9
[M+NH4]+ 321.11484 181.6
[M+K]+ 342.04418 169.8
[M+H-H2O]+ 286.07828 159.8
[M+HCOO]- 348.07922 178.2
[M+CH3COO]- 362.09487 202.2
[M+Na-2H]- 324.05569 168.9
[M]+ 303.08047 176.1
[M]- 303.08157 176.1
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