CID 74527

1793-68-6

Structural Information

Molecular Formula
C18H37NO4
SMILES
CCCCCCCCCCCC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-14-19(12-15-20)13-16-21/h20-21H,2-17H2,1H3
InChIKey
WGDZQINGRJYRHS-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

331.27225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.27953 188.8
[M+Na]+ 354.26147 189.4
[M-H]- 330.26497 185.3
[M+NH4]+ 349.30607 201.6
[M+K]+ 370.23541 187.5
[M+H-H2O]+ 314.26951 181.2
[M+HCOO]- 376.27045 207.3
[M+CH3COO]- 390.28610 213.4
[M+Na-2H]- 352.24692 186.8
[M]+ 331.27170 195.6
[M]- 331.27280 195.6
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