CID 131779651

Mg(0:0/i-13:0/0:0)

Structural Information

Molecular Formula
C16H32O4
SMILES
CC(C)CCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C16H32O4/c1-14(2)10-8-6-4-3-5-7-9-11-16(19)20-15(12-17)13-18/h14-15,17-18H,3-13H2,1-2H3
InChIKey
IORLMQCUGDELAY-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 11-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 177.6
[M+Na]+ 311.21929 179.3
[M-H]- 287.22279 173.3
[M+NH4]+ 306.26389 191.7
[M+K]+ 327.19323 177.5
[M+H-H2O]+ 271.22733 171.3
[M+HCOO]- 333.22827 193.2
[M+CH3COO]- 347.24392 200.8
[M+Na-2H]- 309.20474 174.5
[M]+ 288.22952 181.8
[M]- 288.23062 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.