CID 339435

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

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1C(O1)CCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H13NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)7-3-4-9-8-17-9/h1-2,5-6,9H,3-4,7-8H2
InChIKey
DDJPULUYCYQIBS-UHFFFAOYSA-N
Compound name
2-[3-(oxiran-2-yl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

231.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 152.7
[M+Na]+ 254.07876 163.9
[M-H]- 230.08226 160.5
[M+NH4]+ 249.12336 166.3
[M+K]+ 270.05270 160.3
[M+H-H2O]+ 214.08680 145.9
[M+HCOO]- 276.08774 173.7
[M+CH3COO]- 290.10339 193.1
[M+Na-2H]- 252.06421 157.1
[M]+ 231.08899 158.2
[M]- 231.09009 158.2
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

patents stripe