CID 117489

2-ethyl-2-propyl-1,3-propanediol

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCC(CC)(CO)CO

InChI

InChI=1S/C8H18O2/c1-3-5-8(4-2,6-9)7-10/h9-10H,3-7H2,1-2H3

InChIKey

QPIAAQDLOJNQMP-UHFFFAOYSA-N

Compound name

2-ethyl-2-propylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 856
Patents: 146.13068 Da
Monoisotopic Mass: 1.3
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]+	147.13796	133.9
[M+Na]+	169.11990	142.7
[M+NH4]+	164.16450	140.9
[M+K]+	185.09384	138.2
[M-H]-	145.12340	131.7
[M+Na-2H]-	167.10535	136.3
[M]+	146.13013	134.3
[M]-	146.13123	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe