CID 11753293

55621-34-6

Structural Information

Molecular Formula
C32H62O7
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C32H62O7/c1-3-5-7-9-11-13-15-17-19-21-31(33)38-29-27-36-25-23-35-24-26-37-28-30-39-32(34)22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
YZXXSTDPSIPVKU-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-dodecanoyloxyethoxy)ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

558.4495 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.45678 249.8
[M+Na]+ 581.43872 254.4
[M-H]- 557.44222 237.2
[M+NH4]+ 576.48332 254.0
[M+K]+ 597.41266 253.5
[M+H-H2O]+ 541.44676 251.3
[M+HCOO]- 603.44770 257.2
[M+CH3COO]- 617.46335 255.1
[M+Na-2H]- 579.42417 234.3
[M]+ 558.44895 250.9
[M]- 558.45005 250.9
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