CID 121596036

173536-74-8

Structural Information

Molecular Formula

C₁₅H₃₀O₄

SMILES

CCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-18-12-13-19-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChIKey

DBJNHWGJZJBULK-UHFFFAOYSA-N

Compound name

2-(2-undecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 274.21442 Da
Monoisotopic Mass: 4.6
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]+	275.221696	171.1
[M+Na]+	297.203638	174.1
[M-H]-	273.207144	168.3
[M+NH4]+	292.248243	186.6
[M+K]+	313.177578	172.4
[M+H-H2O]+	257.211680	164.6
[M+HCOO]-	319.212621	190.6
[M+CH3COO]-	333.228271	199.4
[M+Na-2H]-	295.189086	171.7
[M]+	274.21387142	178.4
[M]-	274.21496858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe