CID 689222

2-methyl-n-phenylmaleimide

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
QAVUFFJVZGZJMO-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

646
Patents

187.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.6
[M+Na]+ 210.05254 146.8
[M-H]- 186.05604 142.9
[M+NH4]+ 205.09714 157.2
[M+K]+ 226.02648 143.8
[M+H-H2O]+ 170.06058 130.0
[M+HCOO]- 232.06152 161.0
[M+CH3COO]- 246.07717 181.6
[M+Na-2H]- 208.03799 140.8
[M]+ 187.06277 137.2
[M]- 187.06387 137.2
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