CID 43242654

Ethyl 3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}propanoate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCN1CCCC1CNCCC(=O)OCC
InChI
InChI=1S/C12H24N2O2/c1-3-14-9-5-6-11(14)10-13-8-7-12(15)16-4-2/h11,13H,3-10H2,1-2H3
InChIKey
ZPTCRPRYBUXBTH-UHFFFAOYSA-N
Compound name
ethyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 157.1
[M+Na]+ 251.17300 161.0
[M-H]- 227.17650 158.1
[M+NH4]+ 246.21760 175.3
[M+K]+ 267.14694 159.8
[M+H-H2O]+ 211.18104 149.8
[M+HCOO]- 273.18198 177.8
[M+CH3COO]- 287.19763 193.1
[M+Na-2H]- 249.15845 157.8
[M]+ 228.18323 157.5
[M]- 228.18433 157.5
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

No patent data available for this compound.