CID 165997680

Rac-[(1r,4r,6r)-6-amino-2-oxabicyclo[2.2.1]heptan-4-yl]methanol

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1[C@H]([C@H]2C[C@@]1(CO2)CO)N
InChI
InChI=1S/C7H13NO2/c8-5-1-7(3-9)2-6(5)10-4-7/h5-6,9H,1-4,8H2/t5-,6-,7-/m1/s1
InChIKey
NRWAKKLESXAMGL-FSDSQADBSA-N
Compound name
[(1R,4R,6R)-6-amino-2-oxabicyclo[2.2.1]heptan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.5
[M+Na]+ 166.08386 135.8
[M-H]- 142.08736 130.3
[M+NH4]+ 161.12846 154.6
[M+K]+ 182.05780 135.0
[M+H-H2O]+ 126.09190 125.4
[M+HCOO]- 188.09284 148.7
[M+CH3COO]- 202.10849 171.8
[M+Na-2H]- 164.06931 134.6
[M]+ 143.09409 126.1
[M]- 143.09519 126.1
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.