CID 474195

3,4-dimethoxybutane-1,2-dithiol

Structural Information

Molecular Formula
C6H14O2S2
SMILES
COCC(C(CS)S)OC
InChI
InChI=1S/C6H14O2S2/c1-7-3-5(8-2)6(10)4-9/h5-6,9-10H,3-4H2,1-2H3
InChIKey
KOCAIQHVJFBWHC-UHFFFAOYSA-N
Compound name
3,4-dimethoxybutane-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1621
Patents

182.04352 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05080 136.7
[M+Na]+ 205.03274 142.9
[M-H]- 181.03624 136.8
[M+NH4]+ 200.07734 157.1
[M+K]+ 221.00668 141.7
[M+H-H2O]+ 165.04078 131.3
[M+HCOO]- 227.04172 147.3
[M+CH3COO]- 241.05737 181.7
[M+Na-2H]- 203.01819 135.6
[M]+ 182.04297 142.2
[M]- 182.04407 142.2
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

patents stripe