CID 3151921

436093-44-6

Structural Information

Molecular Formula
C12H13NO4
SMILES
COCCN1CC2=C(C1=O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-17-6-5-13-7-8-3-2-4-9(12(15)16)10(8)11(13)14/h2-4H,5-7H2,1H3,(H,15,16)
InChIKey
MDJVIOXYXZBTEQ-UHFFFAOYSA-N
Compound name
2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.08446 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.1
[M+Na]+ 258.07368 161.6
[M+NH4]+ 253.11828 157.6
[M+K]+ 274.04762 158.7
[M-H]- 234.07718 150.5
[M+Na-2H]- 256.05913 153.6
[M]+ 235.08391 152.0
[M]- 235.08501 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe