CID 206738

28646-23-3

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CCN(CC)C(=O)CC(C(=O)O)N1CCCC1
InChI
InChI=1S/C12H22N2O3/c1-3-13(4-2)11(15)9-10(12(16)17)14-7-5-6-8-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKey
VASBIHDWCYYWBC-UHFFFAOYSA-N
Compound name
4-(diethylamino)-4-oxo-2-pyrrolidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 158.9
[M+Na]+ 265.15226 164.0
[M+NH4]+ 260.19686 163.9
[M+K]+ 281.12620 163.2
[M-H]- 241.15576 157.2
[M+Na-2H]- 263.13771 159.3
[M]+ 242.16249 158.4
[M]- 242.16359 158.4
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.