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]+ 253.10390 154.7
[M+Na]+ 275.08584 159.4
[M-H]- 251.08934 154.5
[M+NH4]+ 270.13044 172.0
[M+K]+ 291.05978 156.2
[M+H-H2O]+ 235.09388 148.4
[M+HCOO]- 297.09482 163.7
[M+CH3COO]- 311.11047 191.5
[M+Na-2H]- 273.07129 152.0
[M]+ 252.09607 156.2
[M]- 252.09717 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.