CID 3054415

4-butyl-2-((1h-inden-4(or 7)-yloxy)methyl)morpholine

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCCCN1CCOC(C1)COC2=CC=CC3=C2C=CC3
InChI
InChI=1S/C18H25NO2/c1-2-3-10-19-11-12-20-16(13-19)14-21-18-9-5-7-15-6-4-8-17(15)18/h4-5,7-9,16H,2-3,6,10-14H2,1H3
InChIKey
NMMMWADDONNIKG-UHFFFAOYSA-N
Compound name
4-butyl-2-(1H-inden-4-yloxymethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 169.8
[M+Na]+ 310.177758 174.8
[M-H]- 286.181264 175.4
[M+NH4]+ 305.222363 185.4
[M+K]+ 326.151698 171.8
[M+H-H2O]+ 270.185800 161.4
[M+HCOO]- 332.186741 187.2
[M+CH3COO]- 346.202391 201.4
[M+Na-2H]- 308.163206 172.1
[M]+ 287.18799142 170.1
[M]- 287.18908858 170.1
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.