CID 23634998

2-(octylamino)tetralin-6-ol

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCCNC1CCC2=C(C1)C=CC(=C2)O
InChI
InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-17-10-8-16-14-18(20)11-9-15(16)13-17/h9,11,14,17,19-20H,2-8,10,12-13H2,1H3
InChIKey
NDQNVYVKZRXJQW-UHFFFAOYSA-N
Compound name
6-(octylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 168.7
[M+Na]+ 298.21412 172.1
[M-H]- 274.21762 170.2
[M+NH4]+ 293.25872 185.1
[M+K]+ 314.18806 167.2
[M+H-H2O]+ 258.22216 161.5
[M+HCOO]- 320.22310 186.9
[M+CH3COO]- 334.23875 203.2
[M+Na-2H]- 296.19957 171.8
[M]+ 275.22435 167.3
[M]- 275.22545 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.