CID 702

Ethanol

Structural Information

Molecular Formula

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

10
Annotation Hits: 237800
References: 1354825
Patents: 46.041866 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	47.049142	103.4
[M+Na]+	69.031084	114.7
[M+NH4]+	64.075689	112.5
[M+K]+	85.005024	109.6
[M-H]-	45.034590	103.2
[M+Na-2H]-	67.016532	108.7
[M]+	46.041317	104.8
[M]-	46.042415	104.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe