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

79
Patents

217.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 148.3
[M+Na]+ 240.06312 160.0
[M-H]- 216.06662 156.4
[M+NH4]+ 235.10772 162.5
[M+K]+ 256.03706 156.6
[M+H-H2O]+ 200.07116 141.7
[M+HCOO]- 262.07210 169.7
[M+CH3COO]- 276.08775 190.3
[M+Na-2H]- 238.04857 153.3
[M]+ 217.07335 153.6
[M]- 217.07445 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