CID 93059

Dpgee

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCOC(C)COCC(C)O

InChI

InChI=1S/C8H18O3/c1-4-11-8(3)6-10-5-7(2)9/h7-9H,4-6H2,1-3H3

InChIKey

QWOZZTWBWQMEPD-UHFFFAOYSA-N

Compound name

1-(2-ethoxypropoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 21907
Patents: 162.1256 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]+	163.132876	138.6
[M+Na]+	185.114818	144.1
[M-H]-	161.118324	137.2
[M+NH4]+	180.159423	158.7
[M+K]+	201.088758	144.7
[M+H-H2O]+	145.122860	133.7
[M+HCOO]-	207.123801	158.9
[M+CH3COO]-	221.139451	178.2
[M+Na-2H]-	183.100266	141.5
[M]+	162.12505142	141.8
[M]-	162.12614858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe