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 162.1
[M+Na]+ 282.14645 167.6
[M-H]- 258.14995 169.7
[M+NH4]+ 277.19105 172.1
[M+K]+ 298.12039 164.2
[M+H-H2O]+ 242.15449 153.1
[M+HCOO]- 304.15543 180.6
[M+CH3COO]- 318.17108 197.5
[M+Na-2H]- 280.13190 164.5
[M]+ 259.15668 160.9
[M]- 259.15778 160.9
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.