CID 3022832

2-(2-butoxyethoxy)ethyl docosanoate

Structural Information

Molecular Formula
C30H60O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
InChI
InChI=1S/C30H60O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(31)34-29-28-33-27-26-32-25-6-4-2/h3-29H2,1-2H3
InChIKey
IGAFVWYTUFDIMM-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.44916 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.456436 237.1
[M+Na]+ 507.438378 242.6
[M-H]- 483.441884 221.0
[M+NH4]+ 502.482983 237.2
[M+K]+ 523.412318 241.1
[M+H-H2O]+ 467.446420 237.8
[M+HCOO]- 529.447361 246.7
[M+CH3COO]- 543.463011 245.0
[M+Na-2H]- 505.423826 222.7
[M]+ 484.44861142 238.3
[M]- 484.44970858 238.3
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.