CID 155821435

Rac-ethyl 3-[(1r,3r)-3-aminocyclopentyl]propanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCOC(=O)CC[C@@H]1CC[C@@H](C1)N
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h8-9H,2-7,11H2,1H3/t8-,9-/m0/s1
InChIKey
PQCSSQCEUUCLDE-IUCAKERBSA-N
Compound name
ethyl 3-[(1S,3S)-3-aminocyclopentyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.7
[M+Na]+ 208.130808 149.5
[M-H]- 184.134314 147.0
[M+NH4]+ 203.175413 165.6
[M+K]+ 224.104748 148.4
[M+H-H2O]+ 168.138850 138.8
[M+HCOO]- 230.139791 166.6
[M+CH3COO]- 244.155441 183.8
[M+Na-2H]- 206.116256 145.3
[M]+ 185.14104142 142.7
[M]- 185.14213858 142.7
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.