CID 16792439

1-(5-amino-2-methylphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=C(C=C(C=C1)N)N2C(=O)CCC2=O
InChI
InChI=1S/C11H12N2O2/c1-7-2-3-8(12)6-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3
InChIKey
LEACTTGAGLHMFQ-UHFFFAOYSA-N
Compound name
1-(5-amino-2-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.0
[M+Na]+ 227.07909 152.1
[M-H]- 203.08259 148.7
[M+NH4]+ 222.12369 162.4
[M+K]+ 243.05303 148.9
[M+H-H2O]+ 187.08713 136.2
[M+HCOO]- 249.08807 166.2
[M+CH3COO]- 263.10372 187.5
[M+Na-2H]- 225.06454 144.8
[M]+ 204.08932 140.8
[M]- 204.09042 140.8
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.