CID 176

Acetic acid

Structural Information

Molecular Formula

C₂H₄O₂

SMILES

CC(=O)O

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Compound name

acetic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 88130
References: 993586
Patents: 60.02113 Da
Monoisotopic Mass: -0.2
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]+	61.028406	106.4
[M+Na]+	83.010348	117.1
[M+NH4]+	78.054953	114.6
[M+K]+	98.984288	113.1
[M-H]-	59.013854	105.3
[M+Na-2H]-	80.995796	110.7
[M]+	60.020581	107.3
[M]-	60.021679	107.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe