CID 11499208

1-propanol, 2,2-dimethoxy-

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

CC(CO)(OC)OC

InChI

InChI=1S/C5H12O3/c1-5(4-6,7-2)8-3/h6H,4H2,1-3H3

InChIKey

IOOUWNQSMXVTRP-UHFFFAOYSA-N

Compound name

2,2-dimethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 120.07864 Da
Monoisotopic Mass: -0.4
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	123.1
[M+Na]+	143.06786	132.6
[M+NH4]+	138.11246	130.3
[M+K]+	159.04180	129.0
[M-H]-	119.07136	121.0
[M+Na-2H]-	141.05331	126.4
[M]+	120.07809	123.6
[M]-	120.07919	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe