CID 2777280

1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1C(CN(C1=O)CC2=CC=CO2)C(=O)O
InChI
InChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
InChIKey
NFWHHUCJMAPGHE-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

105
Patents

209.0688 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.2
[M+Na]+ 232.05802 150.6
[M-H]- 208.06152 148.2
[M+NH4]+ 227.10262 161.9
[M+K]+ 248.03196 150.0
[M+H-H2O]+ 192.06606 137.4
[M+HCOO]- 254.06700 164.0
[M+CH3COO]- 268.08265 180.8
[M+Na-2H]- 230.04347 144.4
[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

patents stripe