CID 3035132

Usaf pd-2

Structural Information

Molecular Formula
C9H20N2O2S2
SMILES
C1CSC(N1CCN(CCO)CCO)S
InChI
InChI=1S/C9H20N2O2S2/c12-6-3-10(4-7-13)1-2-11-5-8-15-9(11)14/h9,12-14H,1-8H2
InChIKey
GBOIBKOVDVTVRX-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-(2-sulfanyl-1,3-thiazolidin-3-yl)ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09662 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.103896 154.7
[M+Na]+ 275.085838 159.4
[M-H]- 251.089344 154.5
[M+NH4]+ 270.130443 172.0
[M+K]+ 291.059778 156.2
[M+H-H2O]+ 235.093880 148.4
[M+HCOO]- 297.094821 163.7
[M+CH3COO]- 311.110471 191.5
[M+Na-2H]- 273.071286 152.0
[M]+ 252.09607142 156.2
[M]- 252.09716858 156.2
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

No patent data available for this compound.