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 138.8
[M+Na]+ 210.07368 146.0
[M-H]- 186.07718 139.6
[M+NH4]+ 205.11828 158.3
[M+K]+ 226.04762 145.3
[M+H-H2O]+ 170.08172 133.1
[M+HCOO]- 232.08266 158.9
[M+CH3COO]- 246.09831 178.7
[M+Na-2H]- 208.05913 140.3
[M]+ 187.08391 139.3
[M]- 187.08501 139.3
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