CID 3048805

63998-23-2

Structural Information

Molecular Formula
C20H33NO
SMILES
CCCCCCCCNC(C)C(C1=CC2=C(CCC2)C=C1)O
InChI
InChI=1S/C20H33NO/c1-3-4-5-6-7-8-14-21-16(2)20(22)19-13-12-17-10-9-11-18(17)15-19/h12-13,15-16,20-22H,3-11,14H2,1-2H3
InChIKey
QZDZPMWEBMNDJF-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(octylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.263506 181.1
[M+Na]+ 326.245448 182.9
[M-H]- 302.248954 182.3
[M+NH4]+ 321.290053 197.8
[M+K]+ 342.219388 178.5
[M+H-H2O]+ 286.253490 174.0
[M+HCOO]- 348.254431 198.7
[M+CH3COO]- 362.270081 209.2
[M+Na-2H]- 324.230896 179.7
[M]+ 303.25568142 180.8
[M]- 303.25677858 180.8
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.