CID 12735680

5-oxo-1-(1-oxoallyl)-l-proline

Structural Information

Molecular Formula
C8H9NO4
SMILES
C=CC(=O)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-2-6(10)9-5(8(12)13)3-4-7(9)11/h2,5H,1,3-4H2,(H,12,13)/t5-/m0/s1
InChIKey
FOBLXEJBFVVAKZ-YFKPBYRVSA-N
Compound name
(2S)-5-oxo-1-prop-2-enoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 136.3
[M+Na]+ 206.042378 143.9
[M-H]- 182.045884 137.4
[M+NH4]+ 201.086983 155.9
[M+K]+ 222.016318 142.5
[M+H-H2O]+ 166.050420 131.1
[M+HCOO]- 228.051361 155.9
[M+CH3COO]- 242.067011 177.3
[M+Na-2H]- 204.027826 136.7
[M]+ 183.05261142 134.7
[M]- 183.05370858 134.7
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