CID 702

Ethanol

Structural Information

Molecular Formula
C2H6O
SMILES
CCO
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Compound name
ethanol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

238259
References

2298416
Patents

46.041866 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 47.049142 103.8
[M+Na]+ 69.031084 112.3
[M-H]- 45.034590 103.5
[M+NH4]+ 64.075689 128.8
[M+K]+ 85.005024 112.9
[M+H-H2O]+ 29.039126 100.7
[M+HCOO]- 91.040067 127.7
[M+CH3COO]- 105.05572 154.3
[M+Na-2H]- 67.016532 112.7
[M]+ 46.041317 103.2
[M]- 46.042415 103.2
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

patents stripe