CID 18330

Thiodiglycol sulfoxide

Structural Information

Molecular Formula
C4H10O3S
SMILES
C(CS(=O)CCO)O
InChI
InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2
InChIKey
XHKPPUVICXLDRJ-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

661
Patents

138.03506 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.04234 126.1
[M+Na]+ 161.02428 133.0
[M-H]- 137.02778 123.9
[M+NH4]+ 156.06888 146.8
[M+K]+ 176.99822 131.5
[M+H-H2O]+ 121.03232 121.7
[M+HCOO]- 183.03326 141.8
[M+CH3COO]- 197.04891 165.7
[M+Na-2H]- 159.00973 128.4
[M]+ 138.03451 127.8
[M]- 138.03561 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe