CID 23635255

2-(dodecylamino)tetralin-5-ol

Structural Information

Molecular Formula
C22H37NO
SMILES
CCCCCCCCCCCCNC1CCC2=C(C1)C=CC=C2O
InChI
InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-17-23-20-15-16-21-19(18-20)13-12-14-22(21)24/h12-14,20,23-24H,2-11,15-18H2,1H3
InChIKey
WYGZFDFGHISLTA-UHFFFAOYSA-N
Compound name
6-(dodecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2875 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.29478 186.6
[M+Na]+ 354.27672 188.2
[M-H]- 330.28022 187.2
[M+NH4]+ 349.32132 200.6
[M+K]+ 370.25066 182.3
[M+H-H2O]+ 314.28476 178.6
[M+HCOO]- 376.28570 203.4
[M+CH3COO]- 390.30135 215.2
[M+Na-2H]- 352.26217 187.5
[M]+ 331.28695 186.5
[M]- 331.28805 186.5
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.