CID 230343

2-(morpholin-4-ylmethyl)isoindole-1,3-dione

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1COCCN1CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-14-5-7-18-8-6-14/h1-4H,5-9H2
InChIKey
WYOAWPIAOVAVTO-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

246.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 153.9
[M+Na]+ 269.089668 161.4
[M-H]- 245.093174 159.0
[M+NH4]+ 264.134273 169.7
[M+K]+ 285.063608 159.0
[M+H-H2O]+ 229.097710 145.7
[M+HCOO]- 291.098651 170.8
[M+CH3COO]- 305.114301 165.6
[M+Na-2H]- 267.075116 157.2
[M]+ 246.09990142 152.1
[M]- 246.10099858 152.1
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