CID 3054413

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

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCCN1CCOC(C1)COC2=CC=CC3=C2C=CC3
InChI
InChI=1S/C17H23NO2/c1-2-9-18-10-11-19-15(12-18)13-20-17-8-4-6-14-5-3-7-16(14)17/h3-4,6-8,15H,2,5,9-13H2,1H3
InChIKey
UYMYPMATFSJOJS-UHFFFAOYSA-N
Compound name
2-(1H-inden-4-yloxymethyl)-4-propylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.2
[M+Na]+ 296.162098 170.6
[M-H]- 272.165604 170.9
[M+NH4]+ 291.206703 181.3
[M+K]+ 312.136038 167.9
[M+H-H2O]+ 256.170140 157.0
[M+HCOO]- 318.171081 183.0
[M+CH3COO]- 332.186731 176.1
[M+Na-2H]- 294.147546 168.1
[M]+ 273.17233142 165.1
[M]- 273.17342858 165.1
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.