CID 28994

1,4-n-thioethyl-2,3-dihydroxydiaminobutane dihydrochloride

Structural Information

Molecular Formula
C8H20N2O2S2
SMILES
C(CS)NCC(C(CNCCS)O)O
InChI
InChI=1S/C8H20N2O2S2/c11-7(5-9-1-3-13)8(12)6-10-2-4-14/h7-14H,1-6H2
InChIKey
CXWMMHZPVZRGCP-UHFFFAOYSA-N
Compound name
1,4-bis(2-sulfanylethylamino)butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.09662 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10390 151.2
[M+Na]+ 263.08584 153.5
[M-H]- 239.08934 147.2
[M+NH4]+ 258.13044 166.7
[M+K]+ 279.05978 149.4
[M+H-H2O]+ 223.09388 144.5
[M+HCOO]- 285.09482 159.7
[M+CH3COO]- 299.11047 192.1
[M+Na-2H]- 261.07129 149.7
[M]+ 240.09607 151.7
[M]- 240.09717 151.7
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

patents stripe