CID 69310

Tricaprin

Structural Information

Molecular Formula
C33H62O6
SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
InChI
InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey
LADGBHLMCUINGV-UHFFFAOYSA-N
Compound name
2,3-di(decanoyloxy)propyl decanoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

42
References

41239
Patents

554.45465 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.461926 247.4
[M+Na]+ 577.443868 254.0
[M-H]- 553.447374 237.8
[M+NH4]+ 572.488473 254.4
[M+K]+ 593.417808 254.3
[M+H-H2O]+ 537.451910 249.9
[M+HCOO]- 599.452851 250.6
[M+CH3COO]- 613.468501 256.3
[M+Na-2H]- 575.429316 233.8
[M]+ 554.45410142 248.5
[M]- 554.45519858 248.5
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