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 124.4
[M+Na]+ 136.07328 129.1
[M-H]- 112.07678 124.0
[M+NH4]+ 131.11788 143.1
[M+K]+ 152.04722 132.7
[M+H-H2O]+ 96.081320 115.8
[M+HCOO]- 158.08226 138.9
[M+CH3COO]- 172.09791 136.6
[M+Na-2H]- 134.05873 136.2
[M]+ 113.08351 133.4
[M]- 113.08461 133.4
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

patents stripe