CID 10846996

2-(cyclopent-2-en-1-yloxy)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1CC(C=C1)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H11NO3/c15-12-10-7-3-4-8-11(10)13(16)14(12)17-9-5-1-2-6-9/h1,3-5,7-9H,2,6H2
InChIKey
ZLZXBIRCZUAYTE-UHFFFAOYSA-N
Compound name
2-cyclopent-2-en-1-yloxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 148.4
[M+Na]+ 252.063118 157.6
[M-H]- 228.066624 155.4
[M+NH4]+ 247.107723 169.6
[M+K]+ 268.037058 154.5
[M+H-H2O]+ 212.071160 142.0
[M+HCOO]- 274.072101 171.3
[M+CH3COO]- 288.087751 188.0
[M+Na-2H]- 250.048566 150.7
[M]+ 229.07335142 149.2
[M]- 229.07444858 149.2
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