CID 844086

27328-34-3

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC(CN1C(=O)C2=CC=CC=C2C1=O)OC
InChI
InChI=1S/C12H13NO4/c1-16-10(17-2)7-13-11(14)8-5-3-4-6-9(8)12(13)15/h3-6,10H,7H2,1-2H3
InChIKey
HDSDOJMUZFFCFU-UHFFFAOYSA-N
Compound name
2-(2,2-dimethoxyethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

235.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.6
[M+Na]+ 258.07368 161.7
[M+NH4]+ 253.11828 157.5
[M+K]+ 274.04762 158.5
[M-H]- 234.07718 150.5
[M+Na-2H]- 256.05913 153.7
[M]+ 235.08391 151.8
[M]- 235.08501 151.8
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