CID 152987

Succinic acid, thio-

Structural Information

Molecular Formula

C₄H₆O₂S₂

SMILES

C(CC(=O)S)C(=O)S

InChI

InChI=1S/C4H6O2S2/c5-3(7)1-2-4(6)8/h1-2H2,(H,5,7)(H,6,8)

InChIKey

SJCLLRIBRUKPQZ-UHFFFAOYSA-N

Compound name

butanebis(thioic S-acid)

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 747
Patents: 149.98093 Da
Monoisotopic Mass: 0.2
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]+	150.98821	126.4
[M+Na]+	172.97015	133.9
[M-H]-	148.97365	126.9
[M+NH4]+	168.01475	147.8
[M+K]+	188.94409	132.0
[M+H-H2O]+	132.97819	121.5
[M+HCOO]-	194.97913	137.9
[M+CH3COO]-	208.99478	173.9
[M+Na-2H]-	170.95560	126.1
[M]+	149.98038	129.7
[M]-	149.98148	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe