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]+ 237.072596 152.4
[M+Na]+ 259.054538 154.8
[M-H]- 235.058044 148.6
[M+NH4]+ 254.099143 167.9
[M+K]+ 275.028478 150.6
[M+H-H2O]+ 219.062580 146.0
[M+HCOO]- 281.063521 159.1
[M+CH3COO]- 295.079171 190.3
[M+Na-2H]- 257.039986 148.6
[M]+ 236.06477142 150.1
[M]- 236.06586858 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.