CID 339433

2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1C(O1)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H11NO3/c14-11-9-3-1-2-4-10(9)12(15)13(11)6-5-8-7-16-8/h1-4,8H,5-7H2
InChIKey
KPQFNAHIBWPUSX-UHFFFAOYSA-N
Compound name
2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

217.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 148.3
[M+Na]+ 240.063118 160.0
[M-H]- 216.066624 156.4
[M+NH4]+ 235.107723 162.5
[M+K]+ 256.037058 156.6
[M+H-H2O]+ 200.071160 141.7
[M+HCOO]- 262.072101 169.7
[M+CH3COO]- 276.087751 190.3
[M+Na-2H]- 238.048566 153.3
[M]+ 217.07335142 153.6
[M]- 217.07444858 153.6
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