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

literature stripe

Patent stripe

patents stripe