CID 100867

Ethyl 4-aminopiperidine-1-carboxylate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCOC(=O)N1CCC(CC1)N
InChI
InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
InChIKey
GQQQULCEHJQUJT-UHFFFAOYSA-N
Compound name
ethyl 4-aminopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1386
Patents

172.12119 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.3
[M+Na]+ 195.11041 144.2
[M-H]- 171.11391 140.3
[M+NH4]+ 190.15501 157.7
[M+K]+ 211.08435 143.7
[M+H-H2O]+ 155.11845 132.6
[M+HCOO]- 217.11939 158.6
[M+CH3COO]- 231.13504 180.0
[M+Na-2H]- 193.09586 142.3
[M]+ 172.12064 135.0
[M]- 172.12174 135.0
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