CID 18949

Unii-ghx2mnt176

Structural Information

Molecular Formula
C8H19NO6S2
SMILES
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C
InChI
InChI=1S/C8H19NO6S2/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13/h9H,3-8H2,1-2H3
InChIKey
DBIGHPPNXATHOF-UHFFFAOYSA-N
Compound name
3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

46278
Patents

289.06537 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07265 162.4
[M+Na]+ 312.05459 167.8
[M-H]- 288.05809 161.5
[M+NH4]+ 307.09919 177.5
[M+K]+ 328.02853 164.9
[M+H-H2O]+ 272.06263 156.1
[M+HCOO]- 334.06357 174.0
[M+CH3COO]- 348.07922 196.1
[M+Na-2H]- 310.04004 165.8
[M]+ 289.06482 170.4
[M]- 289.06592 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe