CID 18342470

3-azabicyclo[3.3.1]nonan-9-ol

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2CNCC(C1)C2O
InChI
InChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)5-9-4-6/h6-10H,1-5H2
InChIKey
MRDRFUVPXXUBMO-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.7
[M+Na]+ 164.104588 135.2
[M-H]- 140.108094 128.5
[M+NH4]+ 159.149193 151.0
[M+K]+ 180.078528 132.4
[M+H-H2O]+ 124.112630 125.3
[M+HCOO]- 186.113571 143.8
[M+CH3COO]- 200.129221 169.3
[M+Na-2H]- 162.090036 136.9
[M]+ 141.11482142 122.4
[M]- 141.11591858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe