CID 222862

Ethyl 1-aminocyclopentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)C1(CCCC1)N
InChI
InChI=1S/C8H15NO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6,9H2,1H3
InChIKey
NLLGKNYQDQBMFW-UHFFFAOYSA-N
Compound name
ethyl 1-aminocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.2
[M+Na]+ 180.09950 140.9
[M-H]- 156.10300 137.8
[M+NH4]+ 175.14410 159.0
[M+K]+ 196.07344 140.4
[M+H-H2O]+ 140.10754 130.4
[M+HCOO]- 202.10848 157.8
[M+CH3COO]- 216.12413 176.1
[M+Na-2H]- 178.08495 138.8
[M]+ 157.10973 132.4
[M]- 157.11083 132.4
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