CID 6454823

Propane-1,2-diol, monoformate

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

CC(COC=O)O

InChI

InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3

InChIKey

CRMUFGZQBODVGS-UHFFFAOYSA-N

Compound name

2-hydroxypropyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 104.04734 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]+	105.054616	117.9
[M+Na]+	127.036558	125.6
[M-H]-	103.040064	117.2
[M+NH4]+	122.081163	140.3
[M+K]+	143.010498	126.2
[M+H-H2O]+	87.044600	113.9
[M+HCOO]-	149.045541	140.8
[M+CH3COO]-	163.061191	164.3
[M+Na-2H]-	125.022006	124.3
[M]+	104.04679142	119.5
[M]-	104.04788858	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe