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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.101916	127.3
[M+Na]+	166.083858	133.3
[M-H]-	142.087364	131.0
[M+NH4]+	161.128463	149.3
[M+K]+	182.057798	134.6
[M+H-H2O]+	126.091900	122.8
[M+HCOO]-	188.092841	146.7
[M+CH3COO]-	202.108491	175.4
[M+Na-2H]-	164.069306	135.8
[M]+	143.09409142	125.9
[M]-	143.09518858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.