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]+ 238.10739 152.2
[M+Na]+ 260.08933 157.9
[M-H]- 236.09283 156.6
[M+NH4]+ 255.13393 168.0
[M+K]+ 276.06327 157.2
[M+H-H2O]+ 220.09737 145.5
[M+HCOO]- 282.09831 169.2
[M+CH3COO]- 296.11396 187.2
[M+Na-2H]- 258.07478 152.6
[M]+ 237.09956 150.2
[M]- 237.10066 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.