CID 151211

1,1-ethanediol

Structural Information

Molecular Formula
C2H6O2
SMILES
CC(O)O
InChI
InChI=1S/C2H6O2/c1-2(3)4/h2-4H,1H3
InChIKey
AZHSSKPUVBVXLK-UHFFFAOYSA-N
Compound name
ethane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

512
References

48665
Patents

62.03678 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 63.044056 108.3
[M+Na]+ 85.025998 116.1
[M-H]- 61.029504 106.5
[M+NH4]+ 80.070603 131.8
[M+K]+ 100.99994 116.5
[M+H-H2O]+ 45.034040 105.1
[M+HCOO]- 107.03498 129.9
[M+CH3COO]- 121.05063 154.5
[M+Na-2H]- 83.011446 115.2
[M]+ 62.036231 106.5
[M]- 62.037329 106.5
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