CID 20262111

92687-23-5

Structural Information

Molecular Formula

C₁₂H₂₀O₅

SMILES

CC(COCC1=CC=C(O1)COCC(C)O)O

InChI

InChI=1S/C12H20O5/c1-9(13)5-15-7-11-3-4-12(17-11)8-16-6-10(2)14/h3-4,9-10,13-14H,5-8H2,1-2H3

InChIKey

RJNFHXTVHNEURU-UHFFFAOYSA-N

Compound name

1-[[5-(2-hydroxypropoxymethyl)furan-2-yl]methoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.13107 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]+	245.138346	157.1
[M+Na]+	267.120288	162.2
[M-H]-	243.123794	158.2
[M+NH4]+	262.164893	173.5
[M+K]+	283.094228	162.5
[M+H-H2O]+	227.128330	151.3
[M+HCOO]-	289.129271	176.4
[M+CH3COO]-	303.144921	188.3
[M+Na-2H]-	265.105736	158.3
[M]+	244.13052142	161.9
[M]-	244.13161858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe