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]+ 188.091736 140.9
[M+Na]+ 210.073678 146.5
[M-H]- 186.077184 140.0
[M+NH4]+ 205.118283 159.3
[M+K]+ 226.047618 145.4
[M+H-H2O]+ 170.081720 135.2
[M+HCOO]- 232.082661 158.5
[M+CH3COO]- 246.098311 175.3
[M+Na-2H]- 208.059126 141.3
[M]+ 187.08391142 138.3
[M]- 187.08500858 138.3
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

No patent data available for this compound.