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

3749
References

4660
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 160.1
[M+Na]+ 270.18284 171.5
[M+NH4]+ 265.22744 169.3
[M+K]+ 286.15678 163.7
[M-H]- 246.18634 163.8
[M+Na-2H]- 268.16829 165.3
[M]+ 247.19307 162.7
[M]- 247.19417 162.7
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

patents stripe