CID 95635

13021-50-6

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCOCC(COC(C)C)O

InChI

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

InChIKey

ZATQNAGGARBGCM-UHFFFAOYSA-N

Compound name

1-ethoxy-3-propan-2-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	163.13288	138.6
[M+Na]+	185.11482	144.1
[M-H]-	161.11832	137.2
[M+NH4]+	180.15942	158.7
[M+K]+	201.08876	144.7
[M+H-H2O]+	145.12286	133.7
[M+HCOO]-	207.12380	158.9
[M+CH3COO]-	221.13945	178.2
[M+Na-2H]-	183.10027	141.5
[M]+	162.12505	141.8
[M]-	162.12615	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe