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]+ 234.14887 164.6
[M+Na]+ 256.13081 169.5
[M-H]- 232.13431 162.8
[M+NH4]+ 251.17541 181.2
[M+K]+ 272.10475 168.3
[M+H-H2O]+ 216.13885 153.9
[M+HCOO]- 278.13979 174.2
[M+CH3COO]- 292.15544 173.4
[M+Na-2H]- 254.11626 174.7
[M]+ 233.14104 174.0
[M]- 233.14214 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.