CID 165941889

1-{2-oxabicyclo[2.2.2]octan-3-yl}methanamine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2CCC1C(O2)CN
InChI
InChI=1S/C8H15NO/c9-5-8-6-1-3-7(10-8)4-2-6/h6-8H,1-5,9H2
InChIKey
HHAJRVKFKZSUGW-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.2]octan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 127.3
[M+Na]+ 164.10459 131.3
[M-H]- 140.10809 124.4
[M+NH4]+ 159.14919 151.6
[M+K]+ 180.07853 130.9
[M+H-H2O]+ 124.11263 123.2
[M+HCOO]- 186.11357 139.6
[M+CH3COO]- 200.12922 138.7
[M+Na-2H]- 162.09004 139.5
[M]+ 141.11482 126.6
[M]- 141.11592 126.6
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.