CID 12412995

1,3-dimethyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=CC(=O)N(C1=O)C
InChI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h3H,1-2H3
InChIKey
HZSAZNPWHKCGKO-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

851
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 119.9
[M+Na]+ 148.036894 130.8
[M-H]- 124.040400 123.2
[M+NH4]+ 143.081499 143.3
[M+K]+ 164.010834 129.9
[M+H-H2O]+ 108.044936 115.1
[M+HCOO]- 170.045877 144.3
[M+CH3COO]- 184.061527 171.0
[M+Na-2H]- 146.022342 124.5
[M]+ 125.04712742 121.1
[M]- 125.04822458 121.1
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