CID 18330

2,2'-sulfinyldiethanol

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

644
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 126.9
[M+Na]+ 161.02428 135.3
[M+NH4]+ 156.06888 134.0
[M+K]+ 176.99822 129.7
[M-H]- 137.02778 124.7
[M+Na-2H]- 159.00973 128.4
[M]+ 138.03451 127.5
[M]- 138.03561 127.5
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