CID 132344135

{2-oxabicyclo[2.2.2]octan-1-yl}methanamine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2(CCC1CO2)CN
InChI
InChI=1S/C8H15NO/c9-6-8-3-1-7(2-4-8)5-10-8/h7H,1-6,9H2
InChIKey
IKVQJSYMPFEWBF-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.2]octan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 128.2
[M+Na]+ 164.10459 132.4
[M-H]- 140.10809 125.2
[M+NH4]+ 159.14919 154.2
[M+K]+ 180.07853 131.8
[M+H-H2O]+ 124.11263 123.8
[M+HCOO]- 186.11357 140.4
[M+CH3COO]- 200.12922 139.6
[M+Na-2H]- 162.09004 141.8
[M]+ 141.11482 127.4
[M]- 141.11592 127.4
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.