CID 21120

N-ethylphthalimide

Structural Information

Molecular Formula
C10H9NO2
SMILES
CCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChIKey
JZDSOQSUCWVBMV-UHFFFAOYSA-N
Compound name
2-ethylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2025
Patents

175.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.7
[M+Na]+ 198.05254 144.4
[M-H]- 174.05604 137.7
[M+NH4]+ 193.09714 156.1
[M+K]+ 214.02648 141.6
[M+H-H2O]+ 158.06058 128.2
[M+HCOO]- 220.06152 156.8
[M+CH3COO]- 234.07717 180.4
[M+Na-2H]- 196.03799 139.1
[M]+ 175.06277 135.3
[M]- 175.06387 135.3
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