CID 92539

Dl-1-acetyl-5-oxoproline

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC(=O)N1C(CCC1=O)C(=O)O
InChI
InChI=1S/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)
InChIKey
AYNBBSMJRSAAHP-UHFFFAOYSA-N
Compound name
1-acetyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

171.05316 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 135.8
[M+Na]+ 194.04238 143.7
[M+NH4]+ 189.08698 141.3
[M+K]+ 210.01632 143.2
[M-H]- 170.04588 133.3
[M+Na-2H]- 192.02783 136.8
[M]+ 171.05261 135.6
[M]- 171.05371 135.6
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.