CID 165725508

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 4-cyanooxane-4-carboxylate

Structural Information

Molecular Formula
C15H12N2O5
SMILES
C1COCCC1(C#N)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12N2O5/c16-9-15(5-7-21-8-6-15)14(20)22-17-12(18)10-3-1-2-4-11(10)13(17)19/h1-4H,5-8H2
InChIKey
RTLUUUVYLVJMSE-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 4-cyanooxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 167.3
[M+Na]+ 323.06384 177.3
[M+NH4]+ 318.10844 171.3
[M+K]+ 339.03778 169.5
[M-H]- 299.06734 162.1
[M+Na-2H]- 321.04929 168.8
[M]+ 300.07407 166.3
[M]- 300.07517 166.3
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

No patent data available for this compound.