CID 23635121

3-(nonylamino)tetralin-5-ol

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCCCCCCNC1CCC2=C(C1)C(=CC=C2)O
InChI
InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-14-20-17-13-12-16-10-9-11-19(21)18(16)15-17/h9-11,17,20-21H,2-8,12-15H2,1H3
InChIKey
AWGDYHCKPAXYTR-UHFFFAOYSA-N
Compound name
7-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.24057 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 173.2
[M+Na]+ 312.22979 176.2
[M-H]- 288.23329 174.5
[M+NH4]+ 307.27439 189.0
[M+K]+ 328.20373 171.0
[M+H-H2O]+ 272.23783 165.8
[M+HCOO]- 334.23877 191.1
[M+CH3COO]- 348.25442 206.2
[M+Na-2H]- 310.21524 175.8
[M]+ 289.24002 172.1
[M]- 289.24112 172.1
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.