CID 43612

61356-05-6

Structural Information

Molecular Formula
C14H20N2O3
SMILES
C1COCCN1CCN2C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C14H20N2O3/c17-13-11-3-1-2-4-12(11)14(18)16(13)6-5-15-7-9-19-10-8-15/h1-2,11-12H,3-10H2
InChIKey
HPJRARLSWHMQKD-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 161.7
[M+Na]+ 287.13662 166.7
[M-H]- 263.14012 165.8
[M+NH4]+ 282.18122 176.6
[M+K]+ 303.11056 164.4
[M+H-H2O]+ 247.14466 153.3
[M+HCOO]- 309.14560 175.3
[M+CH3COO]- 323.16125 195.3
[M+Na-2H]- 285.12207 162.4
[M]+ 264.14685 157.3
[M]- 264.14795 157.3
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

No patent data available for this compound.