CID 18349963

Hydroxyethylcarbonic acid

Structural Information

Molecular Formula

C₃H₆O₄

SMILES

C(COC(=O)O)O

InChI

InChI=1S/C3H6O4/c4-1-2-7-3(5)6/h4H,1-2H2,(H,5,6)

InChIKey

BBRSEFOSZWEMPE-UHFFFAOYSA-N

Compound name

2-hydroxyethyl hydrogen carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3151
Patents: 106.02661 Da
Monoisotopic Mass: -0.5
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]+	107.033886	117.0
[M+Na]+	129.015828	124.7
[M-H]-	105.019334	115.0
[M+NH4]+	124.060433	138.6
[M+K]+	144.989768	125.1
[M+H-H2O]+	89.023870	113.1
[M+HCOO]-	151.024811	138.9
[M+CH3COO]-	165.040461	160.0
[M+Na-2H]-	127.001276	123.4
[M]+	106.02606142	117.7
[M]-	106.02715858	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe