CID 284198

6064-81-9

Structural Information

Molecular Formula

C₁₅H₃₀O₃

SMILES

CCCCCCCCCCCCOCCC(=O)O

InChI

InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)

InChIKey

RPXVKMDHGQPNPI-UHFFFAOYSA-N

Compound name

3-dodecoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 143
Patents: 258.21948 Da
Monoisotopic Mass: 5.2
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]+	259.226756	168.6
[M+Na]+	281.208698	171.7
[M-H]-	257.212204	165.8
[M+NH4]+	276.253303	184.9
[M+K]+	297.182638	169.4
[M+H-H2O]+	241.216740	162.4
[M+HCOO]-	303.217681	187.9
[M+CH3COO]-	317.233331	197.4
[M+Na-2H]-	279.194146	169.1
[M]+	258.21893142	174.4
[M]-	258.22002858	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe