CID 34024

3,4,5,6-tetrahydrophthalimide

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CCC2=C(C1)C(=O)NC2=O
InChI
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)
InChIKey
AFJWMGOTLUUGHF-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

34
References

1633
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.4
[M+Na]+ 174.05254 137.5
[M-H]- 150.05604 131.1
[M+NH4]+ 169.09714 151.4
[M+K]+ 190.02648 134.6
[M+H-H2O]+ 134.06058 124.0
[M+HCOO]- 196.06152 148.6
[M+CH3COO]- 210.07717 171.4
[M+Na-2H]- 172.03799 133.9
[M]+ 151.06277 125.0
[M]- 151.06387 125.0
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

patents stripe