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]+ 288.19582 169.8
[M+Na]+ 310.17776 174.8
[M-H]- 286.18126 175.4
[M+NH4]+ 305.22236 185.4
[M+K]+ 326.15170 171.8
[M+H-H2O]+ 270.18580 161.4
[M+HCOO]- 332.18674 187.2
[M+CH3COO]- 346.20239 201.4
[M+Na-2H]- 308.16321 172.1
[M]+ 287.18799 170.1
[M]- 287.18909 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.