CID 659840

Vesamicol

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CC[C@H]([C@@H](C1)N2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
InChIKey
YSSBJODGIYRAMI-IAGOWNOFSA-N
Compound name
(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

288
References

528
Patents

259.1936 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 165.6
[M+Na]+ 282.18282 177.9
[M+NH4]+ 277.22742 174.9
[M+K]+ 298.15676 169.6
[M-H]- 258.18632 171.6
[M+Na-2H]- 280.16827 173.3
[M]+ 259.19305 169.0
[M]- 259.19415 169.0
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