CID 3048810

63998-29-8

Structural Information

Molecular Formula
C21H35NO
SMILES
CCCCCCCCNC(C)C(C1=CC2=C(CCCC2)C=C1)O
InChI
InChI=1S/C21H35NO/c1-3-4-5-6-7-10-15-22-17(2)21(23)20-14-13-18-11-8-9-12-19(18)16-20/h13-14,16-17,21-23H,3-12,15H2,1-2H3
InChIKey
UOHVMDMDKSVVFU-UHFFFAOYSA-N
Compound name
2-(octylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 183.6
[M+Na]+ 340.261068 184.1
[M-H]- 316.264574 184.2
[M+NH4]+ 335.305673 197.7
[M+K]+ 356.235008 179.5
[M+H-H2O]+ 300.269110 175.8
[M+HCOO]- 362.270051 198.7
[M+CH3COO]- 376.285701 212.7
[M+Na-2H]- 338.246516 183.2
[M]+ 317.27130142 181.5
[M]- 317.27239858 181.5
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.