CID 439196

Dithiothreitol

Structural Information

Molecular Formula
C4H10O2S2
SMILES
C([C@@H]([C@H](CS)O)O)S
InChI
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKey
VHJLVAABSRFDPM-IMJSIDKUSA-N
Compound name
(2R,3R)-1,4-bis(sulfanyl)butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

14049
References

45537
Patents

154.01222 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.019496 128.7
[M+Na]+ 177.001438 134.7
[M-H]- 153.004944 126.1
[M+NH4]+ 172.046043 148.6
[M+K]+ 192.975378 132.1
[M+H-H2O]+ 137.009480 124.1
[M+HCOO]- 199.010421 136.8
[M+CH3COO]- 213.026071 170.6
[M+Na-2H]- 174.986886 127.6
[M]+ 154.01167142 129.6
[M]- 154.01276858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe