CID 202333

Propanol, 3-(2-ethoxyethoxy)-

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCOCCOCCCO

InChI

InChI=1S/C7H16O3/c1-2-9-6-7-10-5-3-4-8/h8H,2-7H2,1H3

InChIKey

BTGGQLNSJKLJPA-UHFFFAOYSA-N

Compound name

3-(2-ethoxyethoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 148.10994 Da
Monoisotopic Mass: 0.0
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	132.9
[M+Na]+	171.09916	139.2
[M-H]-	147.10266	131.5
[M+NH4]+	166.14376	153.7
[M+K]+	187.07310	139.3
[M+H-H2O]+	131.10720	128.1
[M+HCOO]-	193.10814	155.6
[M+CH3COO]-	207.12379	173.5
[M+Na-2H]-	169.08461	138.9
[M]+	148.10939	137.0
[M]-	148.11049	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe