CID 52654

Nsc 220118

Structural Information

Molecular Formula
C15H28N2O
SMILES
C1CCC2CN(CC2C1)CCCN3CCOCC3
InChI
InChI=1S/C15H28N2O/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16/h14-15H,1-13H2
InChIKey
RIRPALZBRVUNDU-UHFFFAOYSA-N
Compound name
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.22017 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.22745 165.2
[M+Na]+ 275.20939 174.3
[M+NH4]+ 270.25399 173.9
[M+K]+ 291.18333 168.9
[M-H]- 251.21289 169.3
[M+Na-2H]- 273.19484 167.5
[M]+ 252.21962 167.3
[M]- 252.22072 167.3
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.