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

896
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 119.9
[M+Na]+ 148.03689 130.8
[M-H]- 124.04040 123.2
[M+NH4]+ 143.08150 143.3
[M+K]+ 164.01083 129.9
[M+H-H2O]+ 108.04494 115.1
[M+HCOO]- 170.04588 144.3
[M+CH3COO]- 184.06153 171.0
[M+Na-2H]- 146.02234 124.5
[M]+ 125.04713 121.1
[M]- 125.04822 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

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