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]+ 318.27913 183.6
[M+Na]+ 340.26107 184.1
[M-H]- 316.26457 184.2
[M+NH4]+ 335.30567 197.7
[M+K]+ 356.23501 179.5
[M+H-H2O]+ 300.26911 175.8
[M+HCOO]- 362.27005 198.7
[M+CH3COO]- 376.28570 212.7
[M+Na-2H]- 338.24652 183.2
[M]+ 317.27130 181.5
[M]- 317.27240 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.