CID 146082021

2-oxabicyclo[3.1.1]heptan-4-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1OCC2N
InChI
InChI=1S/C6H11NO/c7-6-3-8-5-1-4(6)2-5/h4-6H,1-3,7H2
InChIKey
ZFDMYXRXSBKBLF-UHFFFAOYSA-N
Compound name
2-oxabicyclo[3.1.1]heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 116.1
[M+Na]+ 136.07328 121.7
[M+NH4]+ 131.11788 123.2
[M+K]+ 152.04722 118.2
[M-H]- 112.07678 114.2
[M+Na-2H]- 134.05873 113.4
[M]+ 113.08351 115.0
[M]- 113.08461 115.0
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

patents stripe