CID 11715170

(s)-2-methoxymethoxy-1-propanol

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

C[C@@H](CO)OCOC

InChI

InChI=1S/C5H12O3/c1-5(3-6)8-4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1

InChIKey

YNDXFEKPXUXDQS-YFKPBYRVSA-N

Compound name

(2S)-2-(methoxymethoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 120.07864 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]+	121.08592	124.2
[M+Na]+	143.06786	131.1
[M-H]-	119.07136	123.2
[M+NH4]+	138.11246	146.0
[M+K]+	159.04180	132.1
[M+H-H2O]+	103.07590	119.9
[M+HCOO]-	165.07684	146.5
[M+CH3COO]-	179.09249	168.3
[M+Na-2H]-	141.05331	130.0
[M]+	120.07809	126.9
[M]-	120.07919	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe