CID 3146690

407634-05-3

Structural Information

Molecular Formula
C8H13NO4
SMILES
COCCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKey
SQFXUCKQOKOBLC-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

187.08446 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 140.7
[M+Na]+ 210.07368 148.7
[M+NH4]+ 205.11828 146.4
[M+K]+ 226.04762 147.3
[M-H]- 186.07718 138.7
[M+Na-2H]- 208.05913 141.9
[M]+ 187.08391 140.7
[M]- 187.08501 140.7
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

patents stripe