CID 14869308

2260936-33-0

Structural Information

Molecular Formula
C8H13NO4
SMILES
COC(=O)C1CNCCC1C(=O)O
InChI
InChI=1S/C8H13NO4/c1-13-8(12)6-4-9-3-2-5(6)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKey
VBBQMTKLMXRGSI-UHFFFAOYSA-N
Compound name
3-methoxycarbonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.08446 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 140.0
[M+Na]+ 210.07368 144.8
[M-H]- 186.07718 138.8
[M+NH4]+ 205.11828 156.6
[M+K]+ 226.04762 143.8
[M+H-H2O]+ 170.08172 134.1
[M+HCOO]- 232.08266 155.5
[M+CH3COO]- 246.09831 175.7
[M+Na-2H]- 208.05913 141.7
[M]+ 187.08391 135.4
[M]- 187.08501 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

No literature data available for this compound.

Patent stripe

patents stripe