CID 373397

Nsc38535

Structural Information

Molecular Formula
C16H28N2O3
SMILES
C1CC(C(=O)C(C1)CN2CCOCC2)CN3CCOCC3
InChI
InChI=1S/C16H28N2O3/c19-16-14(12-17-4-8-20-9-5-17)2-1-3-15(16)13-18-6-10-21-11-7-18/h14-15H,1-13H2
InChIKey
NKTBQZYCBJWBDL-UHFFFAOYSA-N
Compound name
2,6-bis(morpholin-4-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.21 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.21728 175.0
[M+Na]+ 319.19922 174.9
[M-H]- 295.20272 180.0
[M+NH4]+ 314.24382 183.4
[M+K]+ 335.17316 174.3
[M+H-H2O]+ 279.20726 164.1
[M+HCOO]- 341.20820 183.1
[M+CH3COO]- 355.22385 200.8
[M+Na-2H]- 317.18467 174.8
[M]+ 296.20945 165.7
[M]- 296.21055 165.7
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.