CID 92933

2580-77-0

Structural Information

Molecular Formula
C4H10O4S
SMILES
C(CS(=O)(=O)CCO)O
InChI
InChI=1S/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2
InChIKey
QQLILYBIARWEIF-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfonyl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

3180
Patents

154.02998 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037256 129.0
[M+Na]+ 177.019198 136.6
[M-H]- 153.022704 126.8
[M+NH4]+ 172.063803 149.0
[M+K]+ 192.993138 134.8
[M+H-H2O]+ 137.027240 124.9
[M+HCOO]- 199.028181 144.6
[M+CH3COO]- 213.043831 166.3
[M+Na-2H]- 175.004646 133.3
[M]+ 154.02943142 131.5
[M]- 154.03052858 131.5
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