CID 79649

Ethyl 3-(diethylamino)propionate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCN(CC)CCC(=O)OCC
InChI
InChI=1S/C9H19NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h4-8H2,1-3H3
InChIKey
QDISKADULUYVBM-UHFFFAOYSA-N
Compound name
ethyl 3-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

173.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.9
[M+Na]+ 196.13081 147.4
[M-H]- 172.13431 143.3
[M+NH4]+ 191.17541 162.8
[M+K]+ 212.10475 148.5
[M+H-H2O]+ 156.13885 136.3
[M+HCOO]- 218.13979 166.0
[M+CH3COO]- 232.15544 187.8
[M+Na-2H]- 194.11626 145.6
[M]+ 173.14104 146.3
[M]- 173.14214 146.3
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