CID 3085297

64425-86-1

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCN(CCC)[C@@H]1CCC2=C([C@@H]1C)C(=CC=C2)O
InChI
InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKey
ZNLWDIZBTNNEHH-UKRRQHHQSA-N
Compound name
(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10
Patents

261.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 164.7
[M+Na]+ 284.19848 169.6
[M-H]- 260.20198 168.3
[M+NH4]+ 279.24308 182.7
[M+K]+ 300.17242 166.4
[M+H-H2O]+ 244.20652 157.8
[M+HCOO]- 306.20746 183.7
[M+CH3COO]- 320.22311 204.8
[M+Na-2H]- 282.18393 166.8
[M]+ 261.20871 164.5
[M]- 261.20981 164.5
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