CID 165590531

2731009-80-4

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=CC=C(C=C1)C23CC(C2)(CNC3)CO
InChI
InChI=1S/C14H19NO2/c1-17-12-4-2-11(3-5-12)14-6-13(7-14,10-16)8-15-9-14/h2-5,15-16H,6-10H2,1H3
InChIKey
FKSMKMVFAJXMFG-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-3-azabicyclo[3.1.1]heptan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 164.6
[M+Na]+ 256.130808 169.5
[M-H]- 232.134314 162.8
[M+NH4]+ 251.175413 181.2
[M+K]+ 272.104748 168.3
[M+H-H2O]+ 216.138850 153.9
[M+HCOO]- 278.139791 174.2
[M+CH3COO]- 292.155441 173.4
[M+Na-2H]- 254.116256 174.7
[M]+ 233.14104142 174.0
[M]- 233.14213858 174.0
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.