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: 2
Patents: 266.06464 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.07192	159.8
[M+Na]+	289.05386	164.9
[M+NH4]+	284.09846	165.3
[M+K]+	305.02780	160.3
[M-H]-	265.05736	156.6
[M+Na-2H]-	287.03931	158.3
[M]+	266.06409	160.1
[M]-	266.06519	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe