CID 654521

856437-22-4

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CN(C)CCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C9H16N2O3/c1-10(2)3-4-11-6-7(9(13)14)5-8(11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKey
YLZBIUIUXVYRRQ-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

22
Patents

200.11609 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 144.3
[M+Na]+ 223.105308 150.4
[M-H]- 199.108814 146.4
[M+NH4]+ 218.149913 163.7
[M+K]+ 239.079248 150.3
[M+H-H2O]+ 183.113350 138.0
[M+HCOO]- 245.114291 165.4
[M+CH3COO]- 259.129941 188.1
[M+Na-2H]- 221.090756 144.9
[M]+ 200.11554142 144.2
[M]- 200.11663858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe