CID 210315

S-2-((3-(tetrahydro-2h-pyran-2-yloxy)propyl)amino)ethyl thiosulfate

Structural Information

Molecular Formula
C10H21NO5S2
SMILES
C1CCO[C@H](C1)OCCCNCCOS(=O)(=S)O
InChI
InChI=1S/C10H21NO5S2/c12-18(13,17)16-9-6-11-5-3-8-15-10-4-1-2-7-14-10/h10-11H,1-9H2,(H,12,13,17)/t10-/m0/s1
InChIKey
AYQPJCKAOYYPAN-JTQLQIEISA-N
Compound name
N-(2-hydroxysulfonothioyloxyethyl)-3-[(2S)-oxan-2-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08612 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09340 163.8
[M+Na]+ 322.07534 166.3
[M-H]- 298.07884 164.4
[M+NH4]+ 317.11994 176.5
[M+K]+ 338.04928 163.6
[M+H-H2O]+ 282.08338 157.2
[M+HCOO]- 344.08432 171.5
[M+CH3COO]- 358.09997 195.4
[M+Na-2H]- 320.06079 166.3
[M]+ 299.08557 165.6
[M]- 299.08667 165.6
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.