CID 174

Ethylene glycol

Structural Information

Molecular Formula
C2H6O2
SMILES
C(CO)O
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKey
LYCAIKOWRPUZTN-UHFFFAOYSA-N
Compound name
ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

4475
References

743891
Patents

62.03678 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 63.044056 107.9
[M+Na]+ 85.025998 115.9
[M-H]- 61.029504 106.0
[M+NH4]+ 80.070603 131.4
[M+K]+ 100.99994 115.9
[M+H-H2O]+ 45.034040 104.6
[M+HCOO]- 107.03498 130.5
[M+CH3COO]- 121.05063 153.6
[M+Na-2H]- 83.011446 116.1
[M]+ 62.036231 106.7
[M]- 62.037329 106.7
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

No patent data available for this compound.