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]+ 238.09932 159.3
[M+Na]+ 260.08126 166.1
[M-H]- 236.08476 157.6
[M+NH4]+ 255.12586 176.9
[M+K]+ 276.05520 162.7
[M+H-H2O]+ 220.08930 150.0
[M+HCOO]- 282.09024 165.2
[M+CH3COO]- 296.10589 168.7
[M+Na-2H]- 258.06671 169.8
[M]+ 237.09149 169.1
[M]- 237.09259 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.