CID 93153

1-(2,3-dimethylphenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=C(C(=CC=C1)N2C(=O)C=CC2=O)C
InChI
InChI=1S/C12H11NO2/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12(13)15/h3-7H,1-2H3
InChIKey
UOZNXGJVAWDLQK-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

893
Patents

201.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 140.6
[M+Na]+ 224.06820 151.3
[M-H]- 200.07170 147.2
[M+NH4]+ 219.11280 160.9
[M+K]+ 240.04214 148.1
[M+H-H2O]+ 184.07624 134.2
[M+HCOO]- 246.07718 164.6
[M+CH3COO]- 260.09283 185.8
[M+Na-2H]- 222.05365 143.6
[M]+ 201.07843 142.0
[M]- 201.07953 142.0
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

patents stripe