CID 2725068

Rac-ethyl (1r,2s)-2-aminocyclopentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)[C@@H]1CCC[C@@H]1N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKey
AGCJYTRMZBPEEO-RQJHMYQMSA-N
Compound name
cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

157.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.4
[M+Na]+ 180.099498 141.1
[M-H]- 156.103004 138.1
[M+NH4]+ 175.144103 157.5
[M+K]+ 196.073438 140.5
[M+H-H2O]+ 140.107540 130.0
[M+HCOO]- 202.108481 158.1
[M+CH3COO]- 216.124131 177.7
[M+Na-2H]- 178.084946 137.2
[M]+ 157.10973142 132.7
[M]- 157.11082858 132.7
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