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

43
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.4
[M+Na]+ 252.06312 157.6
[M-H]- 228.06662 155.4
[M+NH4]+ 247.10772 169.6
[M+K]+ 268.03706 154.5
[M+H-H2O]+ 212.07116 142.0
[M+HCOO]- 274.07210 171.3
[M+CH3COO]- 288.08775 188.0
[M+Na-2H]- 250.04857 150.7
[M]+ 229.07335 149.2
[M]- 229.07445 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