CID 23194993

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl prop-2-enoate

Structural Information

Molecular Formula
C11H7NO4
SMILES
C=CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H7NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h2-6H,1H2
InChIKey
YOVNLDXKLKJVIV-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

217.0375 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04478 141.9
[M+Na]+ 240.02672 152.2
[M-H]- 216.03022 145.8
[M+NH4]+ 235.07132 162.1
[M+K]+ 256.00066 149.5
[M+H-H2O]+ 200.03476 136.1
[M+HCOO]- 262.03570 164.3
[M+CH3COO]- 276.05135 186.3
[M+Na-2H]- 238.01217 145.8
[M]+ 217.03695 144.6
[M]- 217.03805 144.6
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