CID 16228403

1-(furan-2-carbonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CO2
InChI
InChI=1S/C11H13NO4/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15)
InChIKey
ZNIKCBOCEIJMLK-UHFFFAOYSA-N
Compound name
1-(furan-2-carbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.08446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 148.0
[M+Na]+ 246.07368 153.1
[M-H]- 222.07718 152.2
[M+NH4]+ 241.11828 164.0
[M+K]+ 262.04762 152.6
[M+H-H2O]+ 206.08172 141.2
[M+HCOO]- 268.08266 165.3
[M+CH3COO]- 282.09831 182.9
[M+Na-2H]- 244.05913 149.5
[M]+ 223.08391 145.2
[M]- 223.08501 145.2
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