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]+ 224.091736 148.0
[M+Na]+ 246.073678 153.1
[M-H]- 222.077184 152.2
[M+NH4]+ 241.118283 164.0
[M+K]+ 262.047618 152.6
[M+H-H2O]+ 206.081720 141.2
[M+HCOO]- 268.082661 165.3
[M+CH3COO]- 282.098311 182.9
[M+Na-2H]- 244.059126 149.5
[M]+ 223.08391142 145.2
[M]- 223.08500858 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