CID 3068956

84016-00-2

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCC
InChI
InChI=1S/C23H44O4/c1-5-7-9-11-12-13-15-17-19-23(25)27-21(4)20(3)26-22(24)18-16-14-10-8-6-2/h20-21H,5-19H2,1-4H3
InChIKey
SRGXWNCVDLSBEK-UHFFFAOYSA-N
Compound name
3-octanoyloxybutan-2-yl undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.32397 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 207.2
[M+Na]+ 407.313188 207.1
[M-H]- 383.316694 204.6
[M+NH4]+ 402.357793 213.2
[M+K]+ 423.287128 205.2
[M+H-H2O]+ 367.321230 199.6
[M+HCOO]- 429.322171 214.0
[M+CH3COO]- 443.337821 225.8
[M+Na-2H]- 405.298636 200.3
[M]+ 384.32342142 216.6
[M]- 384.32451858 216.6
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

No patent data available for this compound.