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 159.8
[M+Na]+ 290.09992 166.5
[M-H]- 266.10342 164.9
[M+NH4]+ 285.14452 176.5
[M+K]+ 306.07386 166.3
[M+H-H2O]+ 250.10796 154.0
[M+HCOO]- 312.10890 178.8
[M+CH3COO]- 326.12455 192.8
[M+Na-2H]- 288.08537 157.8
[M]+ 267.11015 162.0
[M]- 267.11125 162.0
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.