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

25
Patents

187.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 139.3
[M+Na]+ 210.07368 144.6
[M-H]- 186.07718 139.6
[M+NH4]+ 205.11828 156.8
[M+K]+ 226.04762 144.5
[M+H-H2O]+ 170.08172 133.2
[M+HCOO]- 232.08266 156.4
[M+CH3COO]- 246.09831 177.5
[M+Na-2H]- 208.05913 141.6
[M]+ 187.08391 136.6
[M]- 187.08501 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