CID 146155337

4-[3-(4-hydroxybutoxy)propoxy]butan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₄O₄

SMILES

C(CCOCCCOCCCCO)CO

InChI

InChI=1S/C11H24O4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h12-13H,1-11H2

InChIKey

AXQVLZUFQLDBNY-UHFFFAOYSA-N

Compound name

4-[3-(4-hydroxybutoxy)propoxy]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.16747 Da
Monoisotopic Mass: 0.3
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]+	221.17475	154.1
[M+Na]+	243.15669	158.2
[M-H]-	219.16019	150.4
[M+NH4]+	238.20129	171.2
[M+K]+	259.13063	156.8
[M+H-H2O]+	203.16473	148.4
[M+HCOO]-	265.16567	174.2
[M+CH3COO]-	279.18132	184.9
[M+Na-2H]-	241.14214	157.5
[M]+	220.16692	159.3
[M]-	220.16802	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe