CID 75335

2314-79-6

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC=C(C=C1)N2C(=O)CCC2=O
InChI
InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKey
IDSFKFXFMNGXCK-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

41
Patents

189.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.4
[M+Na]+ 212.06820 147.5
[M-H]- 188.07170 144.3
[M+NH4]+ 207.11280 158.8
[M+K]+ 228.04214 144.7
[M+H-H2O]+ 172.07624 131.8
[M+HCOO]- 234.07718 161.3
[M+CH3COO]- 248.09283 182.0
[M+Na-2H]- 210.05365 141.5
[M]+ 189.07843 137.5
[M]- 189.07953 137.5
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