CID 3032456

3815-26-7

Structural Information

Molecular Formula
C8H16N2O2S2
SMILES
CC(CNC(=S)C(=S)NCC(C)O)O
InChI
InChI=1S/C8H16N2O2S2/c1-5(11)3-9-7(13)8(14)10-4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKey
XVQIVQIHTLUPHO-UHFFFAOYSA-N
Compound name
N,N'-bis(2-hydroxypropyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06532 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07260 152.4
[M+Na]+ 259.05454 154.8
[M-H]- 235.05804 148.6
[M+NH4]+ 254.09914 167.9
[M+K]+ 275.02848 150.6
[M+H-H2O]+ 219.06258 146.0
[M+HCOO]- 281.06352 159.1
[M+CH3COO]- 295.07917 190.3
[M+Na-2H]- 257.03999 148.6
[M]+ 236.06477 150.1
[M]- 236.06587 150.1
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

No patent data available for this compound.