CID 90489677

3-(ethoxycarbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
CCOC(=O)C1CCNC1C(=O)O
InChI
InChI=1S/C8H13NO4/c1-2-13-8(12)5-3-4-9-6(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKey
NAUCURGOLKRMOT-UHFFFAOYSA-N
Compound name
3-ethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.6
[M+Na]+ 210.07368 148.4
[M+NH4]+ 205.11828 146.8
[M+K]+ 226.04762 147.8
[M-H]- 186.07718 138.8
[M+Na-2H]- 208.05913 142.1
[M]+ 187.08391 141.1
[M]- 187.08501 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.