CID 2526737

(2s)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1C[C@H](N(C1)C(=O)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C10H11NO4/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m0/s1
InChIKey
HVKHSTWTJLFRBZ-ZETCQYMHSA-N
Compound name
(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 144.3
[M+Na]+ 232.058018 150.6
[M-H]- 208.061524 149.1
[M+NH4]+ 227.102623 162.7
[M+K]+ 248.031958 150.6
[M+H-H2O]+ 192.066060 138.4
[M+HCOO]- 254.067001 164.2
[M+CH3COO]- 268.082651 179.9
[M+Na-2H]- 230.043466 145.0
[M]+ 209.06825142 143.3
[M]- 209.06934858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.