CID 165751943

Rac-1-[(1r,2s,5s)-3-oxabicyclo[3.2.1]octan-2-yl]methanamine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1C[C@H]2C[C@@H]1CO[C@H]2CN
InChI
InChI=1S/C8H15NO/c9-4-8-7-2-1-6(3-7)5-10-8/h6-8H,1-5,9H2/t6-,7+,8+/m1/s1
InChIKey
ISHVGXAOOZNXOA-CSMHCCOUSA-N
Compound name
[(1S,2R,5R)-3-oxabicyclo[3.2.1]octan-2-yl]methanamine
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 129.2
[M+Na]+ 164.10459 134.8
[M-H]- 140.10809 131.6
[M+NH4]+ 159.14919 152.4
[M+K]+ 180.07853 134.1
[M+H-H2O]+ 124.11263 124.5
[M+HCOO]- 186.11357 148.4
[M+CH3COO]- 200.12922 175.6
[M+Na-2H]- 162.09004 135.2
[M]+ 141.11482 125.1
[M]- 141.11592 125.1
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.