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]+ 304.26351 181.1
[M+Na]+ 326.24545 182.9
[M-H]- 302.24895 182.3
[M+NH4]+ 321.29005 197.8
[M+K]+ 342.21939 178.5
[M+H-H2O]+ 286.25349 174.0
[M+HCOO]- 348.25443 198.7
[M+CH3COO]- 362.27008 209.2
[M+Na-2H]- 324.23090 179.7
[M]+ 303.25568 180.8
[M]- 303.25678 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.