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

71
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 137.2
[M+Na]+ 182.11515 143.1
[M-H]- 158.11865 138.7
[M+NH4]+ 177.15975 158.6
[M+K]+ 198.08909 144.5
[M+H-H2O]+ 142.12319 131.8
[M+HCOO]- 204.12413 161.6
[M+CH3COO]- 218.13978 184.8
[M+Na-2H]- 180.10060 141.5
[M]+ 159.12538 141.2
[M]- 159.12648 141.2
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