CID 116724

Einecs 275-074-2

Structural Information

Molecular Formula
C15H26O6
SMILES
CCCCCCCC(=O)OC(COC(=O)C)COC(=O)C
InChI
InChI=1S/C15H26O6/c1-4-5-6-7-8-9-15(18)21-14(10-19-12(2)16)11-20-13(3)17/h14H,4-11H2,1-3H3
InChIKey
QSCYGMBVVDDPGY-UHFFFAOYSA-N
Compound name
1,3-diacetyloxypropan-2-yl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

302.17294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18022 173.5
[M+Na]+ 325.16216 177.0
[M-H]- 301.16566 172.5
[M+NH4]+ 320.20676 188.4
[M+K]+ 341.13610 177.6
[M+H-H2O]+ 285.17020 167.1
[M+HCOO]- 347.17114 192.5
[M+CH3COO]- 361.18679 204.8
[M+Na-2H]- 323.14761 171.3
[M]+ 302.17239 182.1
[M]- 302.17349 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe