CID 31187

N-carbethoxyphthalimide

Structural Information

Molecular Formula
C11H9NO4
SMILES
CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO4/c1-2-16-11(15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3
InChIKey
VRHAQNTWKSVEEC-UHFFFAOYSA-N
Compound name
ethyl 1,3-dioxoisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2617
Patents

219.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.5
[M+Na]+ 242.04238 153.5
[M-H]- 218.04588 147.4
[M+NH4]+ 237.08698 163.8
[M+K]+ 258.01632 151.5
[M+H-H2O]+ 202.05042 137.6
[M+HCOO]- 264.05136 165.7
[M+CH3COO]- 278.06701 186.4
[M+Na-2H]- 240.02783 147.3
[M]+ 219.05261 146.8
[M]- 219.05371 146.8
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