CID 74297

1678-45-1

Structural Information

Molecular Formula

C₁₅H₃₀O₄

SMILES

CCCCCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3

InChIKey

ZUCMOZYYSZYRRM-UHFFFAOYSA-N

Compound name

1,3-dihydroxypropan-2-yl dodecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 11015
Patents: 274.21442 Da
Monoisotopic Mass: 4.0
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]+	275.22170	172.6
[M+Na]+	297.20364	174.9
[M-H]-	273.20714	168.4
[M+NH4]+	292.24824	187.3
[M+K]+	313.17758	172.8
[M+H-H2O]+	257.21168	166.4
[M+HCOO]-	319.21262	189.5
[M+CH3COO]-	333.22827	197.0
[M+Na-2H]-	295.18909	171.3
[M]+	274.21387	177.1
[M]-	274.21497	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe