CID 44147450

93914-22-8

Structural Information

Molecular Formula
C10H16O4S2
SMILES
CC(C)OC(=O)C(C(=O)OC(C)C)C(=S)S
InChI
InChI=1S/C10H16O4S2/c1-5(2)13-8(11)7(10(15)16)9(12)14-6(3)4/h5-7H,1-4H3,(H,15,16)
InChIKey
BJXRTALTASOUJM-UHFFFAOYSA-N
Compound name
3-oxo-3-propan-2-yloxy-2-propan-2-yloxycarbonylpropanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05628 159.6
[M+Na]+ 287.03822 164.7
[M+NH4]+ 282.08282 164.8
[M+K]+ 303.01216 160.0
[M-H]- 263.04172 156.2
[M+Na-2H]- 285.02367 157.9
[M]+ 264.04845 159.8
[M]- 264.04955 159.8
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.