CID 4463726

5-[1-(1-piperidinyl)ethyl]-2-furoic acid hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C1=CC=C(O1)C(=O)O)N2CCCCC2
InChI
InChI=1S/C12H17NO3/c1-9(13-7-3-2-4-8-13)10-5-6-11(16-10)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKey
GHIVIJCNBBEVPR-UHFFFAOYSA-N
Compound name
5-(1-piperidin-1-ylethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

223.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 151.0
[M+Na]+ 246.11007 160.4
[M+NH4]+ 241.15467 158.0
[M+K]+ 262.08401 158.3
[M-H]- 222.11357 153.5
[M+Na-2H]- 244.09552 154.7
[M]+ 223.12030 152.7
[M]- 223.12140 152.7
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