CID 165649138

N-methyl-2-oxabicyclo[2.1.1]hexan-4-aminehydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
CNC12CC(C1)OC2
InChI
InChI=1S/C6H11NO/c1-7-6-2-5(3-6)8-4-6/h5,7H,2-4H2,1H3
InChIKey
JWASZRQBBALHFX-UHFFFAOYSA-N
Compound name
N-methyl-2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.2
[M+Na]+ 136.07328 129.3
[M-H]- 112.07678 125.4
[M+NH4]+ 131.11788 146.8
[M+K]+ 152.04722 132.3
[M+H-H2O]+ 96.081320 116.9
[M+HCOO]- 158.08226 142.8
[M+CH3COO]- 172.09791 137.2
[M+Na-2H]- 134.05873 134.0
[M]+ 113.08351 135.5
[M]- 113.08461 135.5
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.