CID 76353

3002-20-8

Structural Information

Molecular Formula
C42H81NO6
SMILES
CCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCC)CCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C42H81NO6/c1-4-7-10-13-16-19-22-25-28-31-40(44)47-37-34-43(35-38-48-41(45)32-29-26-23-20-17-14-11-8-5-2)36-39-49-42(46)33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChIKey
AKXHFKRRKWIXRH-UHFFFAOYSA-N
Compound name
2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

695.6064 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.61368 287.2
[M+Na]+ 718.59562 294.3
[M-H]- 694.59912 276.8
[M+NH4]+ 713.64022 295.4
[M+K]+ 734.56956 297.1
[M+H-H2O]+ 678.60366 288.7
[M+HCOO]- 740.60460 286.4
[M+CH3COO]- 754.62025 288.0
[M+Na-2H]- 716.58107 269.7
[M]+ 695.60585 287.1
[M]- 695.60695 287.1
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