CID 54594490

1-(ethoxycarbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H17NO5
SMILES
CCOC(=O)N1C(CCC1C(=O)O)C2=CC=C(O2)C
InChI
InChI=1S/C13H17NO5/c1-3-18-13(17)14-9(5-6-10(14)12(15)16)11-7-4-8(2)19-11/h4,7,9-10H,3,5-6H2,1-2H3,(H,15,16)
InChIKey
QYRVZFXAMIYZCG-UHFFFAOYSA-N
Compound name
1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 160.4
[M+Na]+ 290.09992 168.3
[M+NH4]+ 285.14452 165.5
[M+K]+ 306.07386 169.6
[M-H]- 266.10342 160.9
[M+Na-2H]- 288.08537 161.4
[M]+ 267.11015 161.1
[M]- 267.11125 161.1
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.