CID 3053674

70289-22-4

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC1=C(C=CC=C1Cl)NCN2C(=O)CCC2=O
InChI
InChI=1S/C12H13ClN2O2/c1-8-9(13)3-2-4-10(8)14-7-15-11(16)5-6-12(15)17/h2-4,14H,5-7H2,1H3
InChIKey
PQYFBJSDUZWDEE-UHFFFAOYSA-N
Compound name
1-[(3-chloro-2-methylanilino)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 155.2
[M+Na]+ 275.05578 164.5
[M-H]- 251.05928 160.9
[M+NH4]+ 270.10038 173.6
[M+K]+ 291.02972 159.5
[M+H-H2O]+ 235.06382 148.6
[M+HCOO]- 297.06476 173.9
[M+CH3COO]- 311.08041 194.9
[M+Na-2H]- 273.04123 156.8
[M]+ 252.06601 156.2
[M]- 252.06711 156.2
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.