CID 138460

1-nitropyrrolidine-2,5-dione

Structural Information

Molecular Formula
C4H4N2O4
SMILES
C1CC(=O)N(C1=O)[N+](=O)[O-]
InChI
InChI=1S/C4H4N2O4/c7-3-1-2-4(8)5(3)6(9)10/h1-2H2
InChIKey
LVBLRJFVMMAALZ-UHFFFAOYSA-N
Compound name
1-nitropyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

144.0171 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02438 124.8
[M+Na]+ 167.00632 135.1
[M+NH4]+ 162.05092 131.6
[M+K]+ 182.98026 135.8
[M-H]- 143.00982 125.1
[M+Na-2H]- 164.99177 127.8
[M]+ 144.01655 125.8
[M]- 144.01765 125.8
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