CID 277790

Methyl 2-phthalimidoacetate

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO4/c1-16-9(13)6-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChIKey
JINKRJDUNDRREU-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-dioxoisoindol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

219.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.2
[M+Na]+ 242.04238 153.2
[M-H]- 218.04588 147.1
[M+NH4]+ 237.08698 163.5
[M+K]+ 258.01632 151.2
[M+H-H2O]+ 202.05042 137.3
[M+HCOO]- 264.05136 165.5
[M+CH3COO]- 278.06701 187.1
[M+Na-2H]- 240.02783 147.1
[M]+ 219.05261 146.6
[M]- 219.05371 146.6
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