CID 43608

61356-02-3

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCN(CC1)CCN2C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C15H22N2O2/c18-14-12-6-2-3-7-13(12)15(19)17(14)11-10-16-8-4-1-5-9-16/h2-3,12-13H,1,4-11H2
InChIKey
MNWXFNOXUZLLGC-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.7
[M+Na]+ 285.15734 168.2
[M-H]- 261.16084 166.9
[M+NH4]+ 280.20194 180.0
[M+K]+ 301.13128 164.2
[M+H-H2O]+ 245.16538 155.0
[M+HCOO]- 307.16632 177.7
[M+CH3COO]- 321.18197 196.0
[M+Na-2H]- 283.14279 163.1
[M]+ 262.16757 157.6
[M]- 262.16867 157.6
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.