CID 131779633

Mg(0:0/a-13:0/0:0)[rac]

Structural Information

Molecular Formula

C₁₆H₃₂O₄

SMILES

CCC(C)CCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C16H32O4/c1-3-14(2)10-8-6-4-5-7-9-11-16(19)20-15(12-17)13-18/h14-15,17-18H,3-13H2,1-2H3

InChIKey

CNQSVMLPEFUOHJ-UHFFFAOYSA-N

Compound name

1,3-dihydroxypropan-2-yl 10-methyldodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.23007 Da
Monoisotopic Mass: 4.2
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]+	289.23735	174.6
[M+Na]+	311.21929	180.2
[M+NH4]+	306.26389	178.6
[M+K]+	327.19323	175.9
[M-H]-	287.22279	170.7
[M+Na-2H]-	309.20474	172.8
[M]+	288.22952	173.7
[M]-	288.23062	173.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.