CID 104406

Ethyl 1-piperidineglyoxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C(=O)N1CCCCC1
InChI
InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3
InChIKey
ASBDXHCMVYVJQQ-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

185.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.4
[M+Na]+ 208.09442 145.9
[M-H]- 184.09792 142.7
[M+NH4]+ 203.13902 159.5
[M+K]+ 224.06836 146.0
[M+H-H2O]+ 168.10246 134.8
[M+HCOO]- 230.10340 159.5
[M+CH3COO]- 244.11905 179.1
[M+Na-2H]- 206.07987 144.3
[M]+ 185.10465 139.0
[M]- 185.10575 139.0
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.