CID 3020007

84605-13-0

Structural Information

Molecular Formula
C32H64O5
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C32H64O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-34-26-27-35-28-29-36-30-31-37-32(33)24-22-20-18-16-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKey
LLMYKCFFGJIPLB-UHFFFAOYSA-N
Compound name
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
Patents

528.4754 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.48268 246.7
[M+Na]+ 551.46462 251.3
[M-H]- 527.46812 230.5
[M+NH4]+ 546.50922 247.5
[M+K]+ 567.43856 250.6
[M+H-H2O]+ 511.47266 247.3
[M+HCOO]- 573.47360 255.6
[M+CH3COO]- 587.48925 252.3
[M+Na-2H]- 549.45007 231.0
[M]+ 528.47485 247.7
[M]- 528.47595 247.7
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

patents stripe