CID 131779353

Tg(10:0/8:0/12:0)

Structural Information

Molecular Formula
C33H62O6
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C33H62O6/c1-4-7-10-13-15-16-18-21-23-26-32(35)38-29-30(39-33(36)27-24-19-12-9-6-3)28-37-31(34)25-22-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3/t30-/m0/s1
InChIKey
CIDFLZNNIJISEX-PMERELPUSA-N
Compound name
[(2S)-3-decanoyloxy-2-octanoyloxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No patent data available for this compound.