CID 21782946

5-(methoxycarbonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
COC(=O)C1CCC(NC1)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKey
ZDAGAXAGFIRGGV-UHFFFAOYSA-N
Compound name
5-methoxycarbonylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

187.08446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 140.0
[M+Na]+ 210.073678 144.8
[M-H]- 186.077184 138.8
[M+NH4]+ 205.118283 156.6
[M+K]+ 226.047618 143.8
[M+H-H2O]+ 170.081720 134.1
[M+HCOO]- 232.082661 155.5
[M+CH3COO]- 246.098311 175.7
[M+Na-2H]- 208.059126 141.7
[M]+ 187.08391142 135.4
[M]- 187.08500858 135.4
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