CID 20598064

1-(methoxycarbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
COC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-13-8(12)9-4-2-3-6(5-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKey
JUWHQANQIXFDDM-UHFFFAOYSA-N
Compound name
1-methoxycarbonylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 139.3
[M+Na]+ 210.073678 144.6
[M-H]- 186.077184 139.6
[M+NH4]+ 205.118283 156.8
[M+K]+ 226.047618 144.5
[M+H-H2O]+ 170.081720 133.2
[M+HCOO]- 232.082661 156.4
[M+CH3COO]- 246.098311 177.5
[M+Na-2H]- 208.059126 141.6
[M]+ 187.08391142 136.6
[M]- 187.08500858 136.6
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