CID 62114

56388-96-6

Structural Information

Molecular Formula

C₁₇H₃₄O₄

SMILES

CCCCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19/h2-16H2,1H3,(H,18,19)

InChIKey

YZSYVEVDNXPMQU-UHFFFAOYSA-N

Compound name

2-(2-tridecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 336
Patents: 302.2457 Da
Monoisotopic Mass: 5.7
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]+	303.252976	180.1
[M+Na]+	325.234918	182.2
[M-H]-	301.238424	176.8
[M+NH4]+	320.279523	194.4
[M+K]+	341.208858	180.0
[M+H-H2O]+	285.242960	173.2
[M+HCOO]-	347.243901	198.9
[M+CH3COO]-	361.259551	205.3
[M+Na-2H]-	323.220366	179.6
[M]+	302.24515142	188.1
[M]-	302.24624858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe