CID 154814543

2550996-94-4

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN[C@@H]1CC[C@H]2CO[C@@H]1O2
InChI
InChI=1S/C7H13NO2/c1-8-6-3-2-5-4-9-7(6)10-5/h5-8H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKey
OJEVMYCOOXMZHE-RRKCRQDMSA-N
Compound name
(1S,4R,5R)-N-methyl-6,8-dioxabicyclo[3.2.1]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.2
[M+Na]+ 166.08386 137.6
[M+NH4]+ 161.12846 137.7
[M+K]+ 182.05780 134.7
[M-H]- 142.08736 132.1
[M+Na-2H]- 164.06931 129.9
[M]+ 143.09409 130.4
[M]- 143.09519 130.4
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.