CID 22156589

1-(ethoxycarbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO4
SMILES
CCOC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C9H15NO4/c1-2-14-9(13)10-5-3-4-7(6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKey
ZIVDFWFNURSULS-UHFFFAOYSA-N
Compound name
1-ethoxycarbonylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 143.9
[M+Na]+ 224.08933 148.8
[M-H]- 200.09283 144.0
[M+NH4]+ 219.13393 160.8
[M+K]+ 240.06327 148.4
[M+H-H2O]+ 184.09737 137.6
[M+HCOO]- 246.09831 160.6
[M+CH3COO]- 260.11396 180.5
[M+Na-2H]- 222.07478 145.6
[M]+ 201.09956 141.5
[M]- 201.10066 141.5
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

patents stripe