CID 219165

Methyl 3-(diethylamino)propanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCN(CC)CCC(=O)OC
InChI
InChI=1S/C8H17NO2/c1-4-9(5-2)7-6-8(10)11-3/h4-7H2,1-3H3
InChIKey
MGOYBMFCELTAHS-UHFFFAOYSA-N
Compound name
methyl 3-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.6
[M+Na]+ 182.11515 145.5
[M+NH4]+ 177.15975 143.9
[M+K]+ 198.08909 140.7
[M-H]- 158.11865 136.3
[M+Na-2H]- 180.10060 139.8
[M]+ 159.12538 137.5
[M]- 159.12648 137.5
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