CID 86523

2-phenylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C14H13NO3/c16-13-11-9-6-7-10(18-9)12(11)14(17)15(13)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKey
PHRHVYRRQVLATP-UHFFFAOYSA-N
Compound name
2-phenyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.3
[M+Na]+ 266.07876 162.6
[M+NH4]+ 261.12336 161.3
[M+K]+ 282.05270 162.7
[M-H]- 242.08226 155.1
[M+Na-2H]- 264.06421 153.3
[M]+ 243.08899 154.3
[M]- 243.09009 154.3
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