CID 474213

1,3,4-trisulfanylbutan-2-ol

Structural Information

Molecular Formula
C4H10OS3
SMILES
C(C(C(CS)S)O)S
InChI
InChI=1S/C4H10OS3/c5-3(1-6)4(8)2-7/h3-8H,1-2H2
InChIKey
WGAGAJKDFBKYFF-UHFFFAOYSA-N
Compound name
1,3,4-tris(sulfanyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

169.98938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99666 130.0
[M+Na]+ 192.97860 136.1
[M-H]- 168.98210 128.1
[M+NH4]+ 188.02320 149.4
[M+K]+ 208.95254 131.8
[M+H-H2O]+ 152.98664 124.8
[M+HCOO]- 214.98758 133.0
[M+CH3COO]- 229.00323 177.4
[M+Na-2H]- 190.96405 127.9
[M]+ 169.98883 130.5
[M]- 169.98993 130.5
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

patents stripe