CID 3014716

2-(hydroxymethoxy)ethanol

Structural Information

Molecular Formula
C3H8O3
SMILES
C(COCO)O
InChI
InChI=1S/C3H8O3/c4-1-2-6-3-5/h4-5H,1-3H2
InChIKey
ONSWVOSXVUHESJ-UHFFFAOYSA-N
Compound name
2-(hydroxymethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

421
Patents

92.04734 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.054616 115.2
[M+Na]+ 115.036558 122.8
[M-H]- 91.040064 113.1
[M+NH4]+ 110.081163 137.5
[M+K]+ 131.010498 122.9
[M+H-H2O]+ 75.044600 111.4
[M+HCOO]- 137.045541 137.7
[M+CH3COO]- 151.061191 158.7
[M+Na-2H]- 113.022006 122.9
[M]+ 92.04679142 115.9
[M]- 92.04788858 115.9
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