CID 492070

1h-isoindole-1,3(2h)-dione, 2-[(3s)-2-oxo-3-oxetanyl]-

Structural Information

Molecular Formula
C11H7NO4
SMILES
C1[C@@H](C(=O)O1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C11H7NO4/c13-9-6-3-1-2-4-7(6)10(14)12(9)8-5-16-11(8)15/h1-4,8H,5H2/t8-/m0/s1
InChIKey
UMKXPOORLUIUAK-QMMMGPOBSA-N
Compound name
2-[(3S)-2-oxooxetan-3-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04478 134.2
[M+Na]+ 240.02672 143.3
[M-H]- 216.03022 141.9
[M+NH4]+ 235.07132 146.7
[M+K]+ 256.00066 145.0
[M+H-H2O]+ 200.03476 123.6
[M+HCOO]- 262.03570 154.8
[M+CH3COO]- 276.05135 189.8
[M+Na-2H]- 238.01217 139.2
[M]+ 217.03695 145.0
[M]- 217.03805 145.0
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

No patent data available for this compound.