CID 103849

Propylene glycol dicaprate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC
InChI
InChI=1S/C23H44O4/c1-4-6-8-10-12-14-16-18-22(24)26-20-21(3)27-23(25)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3
InChIKey
NFIHXTUNNGIYRF-UHFFFAOYSA-N
Compound name
2-decanoyloxypropyl decanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

11311
Patents

384.32397 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 206.9
[M+Na]+ 407.313188 207.0
[M-H]- 383.316694 204.2
[M+NH4]+ 402.357793 212.1
[M+K]+ 423.287128 204.5
[M+H-H2O]+ 367.321230 199.1
[M+HCOO]- 429.322171 216.8
[M+CH3COO]- 443.337821 225.0
[M+Na-2H]- 405.298636 201.3
[M]+ 384.32342142 216.9
[M]- 384.32451858 216.9
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