CID 16731398

61136-07-0

Structural Information

Molecular Formula

C₁₆H₃₄O₅

SMILES

C(CCOCCCCOCCCCOCCCCO)CO

InChI

InChI=1S/C16H34O5/c17-9-1-3-11-19-13-5-7-15-21-16-8-6-14-20-12-4-2-10-18/h17-18H,1-16H2

InChIKey

VXJPOBFTRXQDMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 518
Patents: 306.24063 Da
Monoisotopic Mass: 1.3
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]+	307.247906	178.4
[M+Na]+	329.229848	180.3
[M-H]-	305.233354	173.7
[M+NH4]+	324.274453	191.9
[M+K]+	345.203788	178.1
[M+H-H2O]+	289.237890	171.4
[M+HCOO]-	351.238831	197.0
[M+CH3COO]-	365.254481	201.8
[M+Na-2H]-	327.215296	179.3
[M]+	306.24008142	186.9
[M]-	306.24117858	186.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe