CID 3051477

1-(4-indanyloxy)-3-morpholino-2-propanol

Structural Information

Molecular Formula
C16H23NO3
SMILES
C1CC2=C(C1)C(=CC=C2)OCC(CN3CCOCC3)O
InChI
InChI=1S/C16H23NO3/c18-14(11-17-7-9-19-10-8-17)12-20-16-6-2-4-13-3-1-5-15(13)16/h2,4,6,14,18H,1,3,5,7-12H2
InChIKey
TUBWJHMEPHWCGK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 165.1
[M+Na]+ 300.157018 168.0
[M-H]- 276.160524 168.9
[M+NH4]+ 295.201623 179.7
[M+K]+ 316.130958 166.0
[M+H-H2O]+ 260.165060 157.1
[M+HCOO]- 322.166001 179.4
[M+CH3COO]- 336.181651 195.2
[M+Na-2H]- 298.142466 166.8
[M]+ 277.16725142 161.9
[M]- 277.16834858 161.9
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.