CID 653379

301353-36-6

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1CCN(CC1)CC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
InChIKey
FOMTWLBLESUJEU-UHFFFAOYSA-N
Compound name
5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

78
Patents

209.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.0
[M+Na]+ 232.094418 151.1
[M-H]- 208.097924 150.0
[M+NH4]+ 227.139023 162.7
[M+K]+ 248.068358 150.2
[M+H-H2O]+ 192.102460 139.0
[M+HCOO]- 254.103401 163.9
[M+CH3COO]- 268.119051 181.3
[M+Na-2H]- 230.079866 148.6
[M]+ 209.10465142 143.1
[M]- 209.10574858 143.1
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

patents stripe