CID 54149241

175205-96-6

Structural Information

Molecular Formula
C20H30O6
SMILES
CCCCCCC(C)(C)C(=O)OCC(COC(=O)C1=CC=C(C=C1)O)O
InChI
InChI=1S/C20H30O6/c1-4-5-6-7-12-20(2,3)19(24)26-14-17(22)13-25-18(23)15-8-10-16(21)11-9-15/h8-11,17,21-22H,4-7,12-14H2,1-3H3
InChIKey
OGOVWKHSGVVMTP-UHFFFAOYSA-N
Compound name
[3-(2,2-dimethyloctanoyloxy)-2-hydroxypropyl] 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

366.20422 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 188.6
[M+Na]+ 389.19344 195.4
[M+NH4]+ 384.23804 191.5
[M+K]+ 405.16738 192.4
[M-H]- 365.19694 185.6
[M+Na-2H]- 387.17889 189.1
[M]+ 366.20367 188.2
[M]- 366.20477 188.2
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