CID 140135

3,3-diethoxy-1-propanol

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCOC(CCO)OCC

InChI

InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3

InChIKey

ASERXEZXVIJBRO-UHFFFAOYSA-N

Compound name

3,3-diethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 584
Patents: 148.10994 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]+	149.11722	132.2
[M+Na]+	171.09916	141.2
[M+NH4]+	166.14376	139.2
[M+K]+	187.07310	136.7
[M-H]-	147.10266	130.5
[M+Na-2H]-	169.08461	134.7
[M]+	148.10939	132.6
[M]-	148.11049	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe