CID 137943369

[4-(aminomethyl)-2-oxabicyclo[2.2.2]octan-1-yl]methanol

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC2(CCC1(CO2)CN)CO
InChI
InChI=1S/C9H17NO2/c10-5-8-1-3-9(6-11,4-2-8)12-7-8/h11H,1-7,10H2
InChIKey
PSGUGXRSYIUWDV-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-2-oxabicyclo[2.2.2]octan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.1
[M+Na]+ 194.11515 145.2
[M+NH4]+ 189.15975 150.1
[M+K]+ 210.08909 135.8
[M-H]- 170.11865 136.4
[M+Na-2H]- 192.10060 137.0
[M]+ 171.12538 138.2
[M]- 171.12648 138.2
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.