CID 85487

Bis[2-(diethylamino)ethyl] adipate

Structural Information

Molecular Formula
C18H36N2O4
SMILES
CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C18H36N2O4/c1-5-19(6-2)13-15-23-17(21)11-9-10-12-18(22)24-16-14-20(7-3)8-4/h5-16H2,1-4H3
InChIKey
RGAMPJYGTCSRAG-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1432
Patents

344.26752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27480 191.9
[M+Na]+ 367.25674 192.8
[M-H]- 343.26024 192.9
[M+NH4]+ 362.30134 217.2
[M+K]+ 383.23068 194.0
[M+H-H2O]+ 327.26478 183.6
[M+HCOO]- 389.26572 214.1
[M+CH3COO]- 403.28137 226.2
[M+Na-2H]- 365.24219 189.2
[M]+ 344.26697 201.5
[M]- 344.26807 201.5
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