CID 13705301

Brn 5563109

Structural Information

Molecular Formula
C16H21NO2
SMILES
C1CCN(CC1)C(=O)[C@@H]2C[C@H]2COC3=CC=CC=C3
InChI
InChI=1S/C16H21NO2/c18-16(17-9-5-2-6-10-17)15-11-13(15)12-19-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2/t13-,15+/m0/s1
InChIKey
XRKOWMJQZZAFLZ-DZGCQCFKSA-N
Compound name
[(1R,2R)-2-(phenoxymethyl)cyclopropyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 163.6
[M+Na]+ 282.14645 177.0
[M+NH4]+ 277.19105 172.5
[M+K]+ 298.12039 171.1
[M-H]- 258.14995 175.0
[M+Na-2H]- 280.13190 173.5
[M]+ 259.15668 169.8
[M]- 259.15778 169.8
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.