CID 472071

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

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCCCCCN1C(=CC(=C1C)CN2CCOCC2)C
InChI
InChI=1S/C17H30N2O/c1-4-5-6-7-8-19-15(2)13-17(16(19)3)14-18-9-11-20-12-10-18/h13H,4-12,14H2,1-3H3
InChIKey
UIEGMOQOEQMGMR-UHFFFAOYSA-N
Compound name
4-[(1-hexyl-2,5-dimethylpyrrol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.2358 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 172.2
[M+Na]+ 301.22502 177.2
[M-H]- 277.22852 175.6
[M+NH4]+ 296.26962 186.4
[M+K]+ 317.19896 174.6
[M+H-H2O]+ 261.23306 163.4
[M+HCOO]- 323.23400 188.6
[M+CH3COO]- 337.24965 202.7
[M+Na-2H]- 299.21047 171.4
[M]+ 278.23525 173.0
[M]- 278.23635 173.0
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.