CID 165947439

{5-methoxy-3-azabicyclo[3.1.1]heptan-1-yl}methanol

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC12CC(C1)(CNC2)CO
InChI
InChI=1S/C8H15NO2/c1-11-8-2-7(3-8,6-10)4-9-5-8/h9-10H,2-6H2,1H3
InChIKey
KJUKBMLLHBYGAW-UHFFFAOYSA-N
Compound name
(5-methoxy-3-azabicyclo[3.1.1]heptan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 146.8
[M+Na]+ 180.09950 152.0
[M-H]- 156.10300 142.2
[M+NH4]+ 175.14410 166.5
[M+K]+ 196.07344 152.5
[M+H-H2O]+ 140.10754 138.7
[M+HCOO]- 202.10848 156.9
[M+CH3COO]- 216.12413 178.2
[M+Na-2H]- 178.08495 158.3
[M]+ 157.10973 156.4
[M]- 157.11083 156.4
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.