CID 98969

Ethyl nipecotate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)C1CCCNC1
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3
InChIKey
XIWBSOUNZWSFKU-UHFFFAOYSA-N
Compound name
ethyl piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

4038
Patents

157.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.8
[M+Na]+ 180.099498 140.1
[M-H]- 156.103004 135.6
[M+NH4]+ 175.144103 154.3
[M+K]+ 196.073438 139.1
[M+H-H2O]+ 140.107540 129.5
[M+HCOO]- 202.108481 153.2
[M+CH3COO]- 216.124131 172.7
[M+Na-2H]- 178.084946 139.8
[M]+ 157.10973142 131.1
[M]- 157.11082858 131.1
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