CID 139596379

Ns00095337

Structural Information

Molecular Formula
C22H44O6
SMILES
CCCCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-26-17-18-27-16-14-22(25)28-20-21(24)19-23/h21,23-24H,2-20H2,1H3
InChIKey
ODVCVPYKUZAQDI-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-(2-tetradecoxyethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.31378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.321056 207.7
[M+Na]+ 427.302998 206.8
[M-H]- 403.306504 200.5
[M+NH4]+ 422.347603 210.3
[M+K]+ 443.276938 204.2
[M+H-H2O]+ 387.311040 199.7
[M+HCOO]- 449.311981 218.6
[M+CH3COO]- 463.327631 221.4
[M+Na-2H]- 425.288446 203.1
[M]+ 404.31323142 210.7
[M]- 404.31432858 210.7
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.