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]+ 274.18016 165.2
[M+Na]+ 296.16210 170.6
[M-H]- 272.16560 170.9
[M+NH4]+ 291.20670 181.3
[M+K]+ 312.13604 167.9
[M+H-H2O]+ 256.17014 157.0
[M+HCOO]- 318.17108 183.0
[M+CH3COO]- 332.18673 176.1
[M+Na-2H]- 294.14755 168.1
[M]+ 273.17233 165.1
[M]- 273.17343 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.