CID 165944600

2703782-29-8

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1C2(CC1(CNC2)C3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C13H16ClNO/c14-11-3-1-10(2-4-11)13-5-12(6-13,9-16)7-15-8-13/h1-4,15-16H,5-9H2
InChIKey
FCYXWIQTXAWRQK-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-3-azabicyclo[3.1.1]heptan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 159.3
[M+Na]+ 260.081258 166.1
[M-H]- 236.084764 157.6
[M+NH4]+ 255.125863 176.9
[M+K]+ 276.055198 162.7
[M+H-H2O]+ 220.089300 150.0
[M+HCOO]- 282.090241 165.2
[M+CH3COO]- 296.105891 168.7
[M+Na-2H]- 258.066706 169.8
[M]+ 237.09149142 169.1
[M]- 237.09258858 169.1
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.