CID 85269

2-(diethylamino)ethyl laurate

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCCCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C18H37NO2/c1-4-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19(5-2)6-3/h4-17H2,1-3H3
InChIKey
UNWMSJSGBWRHNY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

299.28244 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.289716 183.6
[M+Na]+ 322.271658 185.2
[M-H]- 298.275164 183.1
[M+NH4]+ 317.316263 199.3
[M+K]+ 338.245598 184.0
[M+H-H2O]+ 282.279700 176.1
[M+HCOO]- 344.280641 204.6
[M+CH3COO]- 358.296291 214.8
[M+Na-2H]- 320.257106 182.3
[M]+ 299.28189142 191.3
[M]- 299.28298858 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe