CID 88232175

Schembl7986742

Structural Information

Molecular Formula

C₂₄H₅₀O₇

SMILES

C(CCOCCCCOCCCCOCCCCOCCCCOCCCCO)CO

InChI

InChI=1S/C24H50O7/c25-13-1-3-15-27-17-5-7-19-29-21-9-11-23-31-24-12-10-22-30-20-8-6-18-28-16-4-2-14-26/h25-26H,1-24H2

InChIKey

MGZIQXSUTWYRRI-UHFFFAOYSA-N

Compound name

4-[4-[4-[4-[4-(4-hydroxybutoxy)butoxy]butoxy]butoxy]butoxy]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 450.35565 Da
Monoisotopic Mass: 2.4
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]+	451.362926	224.7
[M+Na]+	473.344868	226.4
[M-H]-	449.348374	209.7
[M+NH4]+	468.389473	220.6
[M+K]+	489.318808	222.3
[M+H-H2O]+	433.352910	206.8
[M+HCOO]-	495.353851	234.7
[M+CH3COO]-	509.369501	228.9
[M+Na-2H]-	471.330316	213.3
[M]+	450.35510142	223.7
[M]-	450.35619858	223.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe