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]+ 279.243076 172.2
[M+Na]+ 301.225018 177.2
[M-H]- 277.228524 175.6
[M+NH4]+ 296.269623 186.4
[M+K]+ 317.198958 174.6
[M+H-H2O]+ 261.233060 163.4
[M+HCOO]- 323.234001 188.6
[M+CH3COO]- 337.249651 202.7
[M+Na-2H]- 299.210466 171.4
[M]+ 278.23525142 173.0
[M]- 278.23634858 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.