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]+ 210.07608 144.3
[M+Na]+ 232.05802 150.6
[M-H]- 208.06152 149.1
[M+NH4]+ 227.10262 162.7
[M+K]+ 248.03196 150.6
[M+H-H2O]+ 192.06606 138.4
[M+HCOO]- 254.06700 164.2
[M+CH3COO]- 268.08265 179.9
[M+Na-2H]- 230.04347 145.0
[M]+ 209.06825 143.3
[M]- 209.06935 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.