CID 472070

4-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]morpholine

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC1=CC(=C(N1C2CCCCC2)C)CN3CCOCC3
InChI
InChI=1S/C17H28N2O/c1-14-12-16(13-18-8-10-20-11-9-18)15(2)19(14)17-6-4-3-5-7-17/h12,17H,3-11,13H2,1-2H3
InChIKey
UVUOFGYHQLGOGJ-UHFFFAOYSA-N
Compound name
4-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.22015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 170.2
[M+Na]+ 299.20937 173.5
[M-H]- 275.21287 176.2
[M+NH4]+ 294.25397 183.6
[M+K]+ 315.18331 170.7
[M+H-H2O]+ 259.21741 160.5
[M+HCOO]- 321.21835 183.6
[M+CH3COO]- 335.23400 179.4
[M+Na-2H]- 297.19482 168.4
[M]+ 276.21960 164.0
[M]- 276.22070 164.0
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

No patent data available for this compound.