CID 573285

1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1=CC=C(O1)C(=O)N2CCCCC2C(=O)O
InChI
InChI=1S/C12H15NO4/c1-8-5-6-10(17-8)11(14)13-7-3-2-4-9(13)12(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16)
InChIKey
RNCDNDUTGFYJQM-UHFFFAOYSA-N
Compound name
1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.2
[M+Na]+ 260.089328 157.9
[M-H]- 236.092834 156.6
[M+NH4]+ 255.133933 168.0
[M+K]+ 276.063268 157.2
[M+H-H2O]+ 220.097370 145.5
[M+HCOO]- 282.098311 169.2
[M+CH3COO]- 296.113961 187.2
[M+Na-2H]- 258.074776 152.6
[M]+ 237.09956142 150.2
[M]- 237.10065858 150.2
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.