CID 69404

2-hydroxyethyl formate

Structural Information

Molecular Formula

C₃H₆O₃

SMILES

C(COC=O)O

InChI

InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2

InChIKey

UKQJDWBNQNAJHB-UHFFFAOYSA-N

Compound name

2-hydroxyethyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5942
Patents: 90.03169 Da
Monoisotopic Mass: -0.6
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]+	91.038966	112.8
[M+Na]+	113.020908	121.1
[M-H]-	89.024414	112.2
[M+NH4]+	108.065513	135.8
[M+K]+	128.994848	121.6
[M+H-H2O]+	73.028950	108.9
[M+HCOO]-	135.029891	137.0
[M+CH3COO]-	149.045541	160.4
[M+Na-2H]-	111.006356	121.1
[M]+	90.03114142	114.7
[M]-	90.03223858	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe