CID 4182729

Acetic acid, (dodecyloxy)-

Structural Information

Molecular Formula

C₁₄H₂₈O₃

SMILES

CCCCCCCCCCCCOCC(=O)O

InChI

InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)

InChIKey

RFLZOPFYDJEUDJ-UHFFFAOYSA-N

Compound name

2-dodecoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 892
Patents: 244.20384 Da
Monoisotopic Mass: 5.3
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]+	245.21112	164.1
[M+Na]+	267.19306	167.6
[M-H]-	243.19656	161.5
[M+NH4]+	262.23766	180.9
[M+K]+	283.16700	165.6
[M+H-H2O]+	227.20110	158.1
[M+HCOO]-	289.20204	183.7
[M+CH3COO]-	303.21769	194.4
[M+Na-2H]-	265.17851	165.1
[M]+	244.20329	169.5
[M]-	244.20439	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe