CID 537297

Glyceryl 2-pentadecanoate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-17(15-19)16-20/h17,19-20H,2-16H2,1H3
InChIKey
SJUYTIGRIZBTCI-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl pentadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

316.26135 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 186.0
[M+Na]+ 339.25057 187.1
[M-H]- 315.25407 181.2
[M+NH4]+ 334.29517 199.0
[M+K]+ 355.22451 184.2
[M+H-H2O]+ 299.25861 179.2
[M+HCOO]- 361.25955 201.9
[M+CH3COO]- 375.27520 205.9
[M+Na-2H]- 337.23602 183.1
[M]+ 316.26080 191.7
[M]- 316.26190 191.7
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

patents stripe