CID 22147

1,3-dithiolane-4-methanol

Structural Information

Molecular Formula
C4H8OS2
SMILES
C1C(SCS1)CO
InChI
InChI=1S/C4H8OS2/c5-1-4-2-6-3-7-4/h4-5H,1-3H2
InChIKey
NJXOBTJELQJDER-UHFFFAOYSA-N
Compound name
1,3-dithiolan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

136.00166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00894 124.2
[M+Na]+ 158.99088 132.9
[M+NH4]+ 154.03548 134.3
[M+K]+ 174.96482 125.6
[M-H]- 134.99438 125.9
[M+Na-2H]- 156.97633 127.2
[M]+ 136.00111 126.7
[M]- 136.00221 126.7
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