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]+ 188.091736 138.8
[M+Na]+ 210.073678 146.0
[M-H]- 186.077184 139.6
[M+NH4]+ 205.118283 158.3
[M+K]+ 226.047618 145.3
[M+H-H2O]+ 170.081720 133.1
[M+HCOO]- 232.082661 158.9
[M+CH3COO]- 246.098311 178.7
[M+Na-2H]- 208.059126 140.3
[M]+ 187.08391142 139.3
[M]- 187.08500858 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