CID 165978892

Ethyl 3-(hydroxymethyl)-2-oxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C9H15NO4
SMILES
CCOC(=O)C1(CCCNC1=O)CO
InChI
InChI=1S/C9H15NO4/c1-2-14-8(13)9(6-11)4-3-5-10-7(9)12/h11H,2-6H2,1H3,(H,10,12)
InChIKey
OEDGQTHUJWZSMQ-UHFFFAOYSA-N
Compound name
ethyl 3-(hydroxymethyl)-2-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 144.1
[M+Na]+ 224.08933 149.6
[M-H]- 200.09283 143.0
[M+NH4]+ 219.13393 162.3
[M+K]+ 240.06327 148.2
[M+H-H2O]+ 184.09737 138.9
[M+HCOO]- 246.09831 160.2
[M+CH3COO]- 260.11396 177.3
[M+Na-2H]- 222.07478 147.8
[M]+ 201.09956 140.9
[M]- 201.10066 140.9
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.