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: 841
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]+	245.211116	164.1
[M+Na]+	267.193058	167.6
[M-H]-	243.196564	161.5
[M+NH4]+	262.237663	180.9
[M+K]+	283.166998	165.6
[M+H-H2O]+	227.201100	158.1
[M+HCOO]-	289.202041	183.7
[M+CH3COO]-	303.217691	194.4
[M+Na-2H]-	265.178506	165.1
[M]+	244.20329142	169.5
[M]-	244.20438858	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe