CID 1219

7-oh-dpat

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O
InChI
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
InChIKey
BLYMJBIZMIGWFK-UHFFFAOYSA-N
Compound name
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

426
References

661
Patents

247.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.2
[M+Na]+ 270.182838 164.6
[M-H]- 246.186344 163.6
[M+NH4]+ 265.227443 178.4
[M+K]+ 286.156778 161.6
[M+H-H2O]+ 230.190880 153.3
[M+HCOO]- 292.191821 179.6
[M+CH3COO]- 306.207471 200.5
[M+Na-2H]- 268.168286 163.6
[M]+ 247.19307142 159.3
[M]- 247.19416858 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

literature stripe

Patent stripe

patents stripe