CID 3081157

Dip-dmsa

Structural Information

Molecular Formula
C10H18O4S2
SMILES
CC(C)OC(=O)[C@@H]([C@@H](C(=O)OC(C)C)S)S
InChI
InChI=1S/C10H18O4S2/c1-5(2)13-9(11)7(15)8(16)10(12)14-6(3)4/h5-8,15-16H,1-4H3/t7-,8+
InChIKey
YKPJGUVPRSQCPX-OCAPTIKFSA-N
Compound name
dipropan-2-yl (2S,3R)-2,3-bis(sulfanyl)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

266.06464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07192 158.4
[M+Na]+ 289.05386 161.9
[M-H]- 265.05736 157.8
[M+NH4]+ 284.09846 174.8
[M+K]+ 305.02780 161.4
[M+H-H2O]+ 249.06190 152.5
[M+HCOO]- 311.06284 164.4
[M+CH3COO]- 325.07849 197.6
[M+Na-2H]- 287.03931 152.3
[M]+ 266.06409 164.3
[M]- 266.06519 164.3
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.