CID 131779644

Mg(0:0/i-12:0/0:0)

Structural Information

Molecular Formula
C15H30O4
SMILES
CC(C)CCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C15H30O4/c1-13(2)9-7-5-3-4-6-8-10-15(18)19-14(11-16)12-17/h13-14,16-17H,3-12H2,1-2H3
InChIKey
BRNAOJQEJVYSDZ-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21442 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22170 170.3
[M+Na]+ 297.20364 176.0
[M+NH4]+ 292.24824 174.5
[M+K]+ 313.17758 172.0
[M-H]- 273.20714 166.4
[M+Na-2H]- 295.18909 168.8
[M]+ 274.21387 169.4
[M]- 274.21497 169.4
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.