CID 104941160

Ethyl (3s)-3-amino-3-cyclopentylpropanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCOC(=O)C[C@@H](C1CCCC1)N
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8-9H,2-7,11H2,1H3/t9-/m0/s1
InChIKey
LYAOXEQXPAHILS-VIFPVBQESA-N
Compound name
ethyl (3S)-3-amino-3-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 146.0
[M+Na]+ 208.13081 149.6
[M-H]- 184.13431 148.0
[M+NH4]+ 203.17541 166.5
[M+K]+ 224.10475 149.0
[M+H-H2O]+ 168.13885 139.9
[M+HCOO]- 230.13979 166.9
[M+CH3COO]- 244.15544 183.5
[M+Na-2H]- 206.11626 146.0
[M]+ 185.14104 142.9
[M]- 185.14214 142.9
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.