CID 44152994

2-propanol, 1,1'-(1,4-butanediylbis(oxy))bis(3-mercapto-

Structural Information

Molecular Formula
C10H22O4S2
SMILES
C(CCOCC(CS)O)COCC(CS)O
InChI
InChI=1S/C10H22O4S2/c11-9(7-15)5-13-3-1-2-4-14-6-10(12)8-16/h9-12,15-16H,1-8H2
InChIKey
LOVUEQHRPLXAFA-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-sulfanylpropoxy)butoxy]-3-sulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09595 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10323 160.3
[M+Na]+ 293.08517 163.3
[M-H]- 269.08867 156.3
[M+NH4]+ 288.12977 175.4
[M+K]+ 309.05911 160.1
[M+H-H2O]+ 253.09321 154.1
[M+HCOO]- 315.09415 167.2
[M+CH3COO]- 329.10980 192.0
[M+Na-2H]- 291.07062 157.1
[M]+ 270.09540 166.2
[M]- 270.09650 166.2
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

No patent data available for this compound.