CID 11457741

1-acetylpyrrolidin-1-ium-2,5-dione chloride

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC(=O)N1C(=O)CCC1=O
InChI
InChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3H2,1H3
InChIKey
RHLBOBPOIZROJX-UHFFFAOYSA-N
Compound name
1-acetylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

141.04259 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.8
[M+Na]+ 164.031808 133.8
[M-H]- 140.035314 127.5
[M+NH4]+ 159.076413 147.0
[M+K]+ 180.005748 133.4
[M+H-H2O]+ 124.039850 119.6
[M+HCOO]- 186.040791 147.1
[M+CH3COO]- 200.056441 171.6
[M+Na-2H]- 162.017256 127.9
[M]+ 141.04204142 124.2
[M]- 141.04313858 124.2
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