CID 3063278

2-furoic acid, 2-piperidinoethyl ester, hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
C1CCN(CC1)CCOC(=O)C2=CC=CO2
InChI
InChI=1S/C12H17NO3/c14-12(11-5-4-9-15-11)16-10-8-13-6-2-1-3-7-13/h4-5,9H,1-3,6-8,10H2
InChIKey
VQKYKJZDDMASRH-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.5
[M+Na]+ 246.11007 154.7
[M-H]- 222.11357 155.3
[M+NH4]+ 241.15467 167.1
[M+K]+ 262.08401 154.5
[M+H-H2O]+ 206.11811 142.8
[M+HCOO]- 268.11905 169.6
[M+CH3COO]- 282.13470 185.0
[M+Na-2H]- 244.09552 153.6
[M]+ 223.12030 149.3
[M]- 223.12140 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.