CID 82340

2,2-bis(pentyloxy)propane

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCCCCOC(C)(C)OCCCCC

InChI

InChI=1S/C13H28O2/c1-5-7-9-11-14-13(3,4)15-12-10-8-6-2/h5-12H2,1-4H3

InChIKey

NWYYISOYSZWERS-UHFFFAOYSA-N

Compound name

1-(2-pentoxypropan-2-yloxy)pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 216.20892 Da
Monoisotopic Mass: 4.2
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]+	217.21620	155.1
[M+Na]+	239.19814	164.1
[M+NH4]+	234.24274	162.1
[M+K]+	255.17208	157.8
[M-H]-	215.20164	153.9
[M+Na-2H]-	237.18359	157.5
[M]+	216.20837	156.0
[M]-	216.20947	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe