CID 1220

8-oh-dpat

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKey
ASXGJMSKWNBENU-UHFFFAOYSA-N
Compound name
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3754
References

5552
Patents

247.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.2
[M+Na]+ 270.18284 164.6
[M-H]- 246.18634 163.6
[M+NH4]+ 265.22744 178.4
[M+K]+ 286.15678 161.6
[M+H-H2O]+ 230.19088 153.3
[M+HCOO]- 292.19182 179.6
[M+CH3COO]- 306.20747 200.5
[M+Na-2H]- 268.16829 163.6
[M]+ 247.19307 159.3
[M]- 247.19417 159.3
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.