CID 129999192

3-oxabicyclo[3.2.0]heptan-6-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2COCC2C1N
InChI
InChI=1S/C6H11NO/c7-6-1-4-2-8-3-5(4)6/h4-6H,1-3,7H2
InChIKey
ILYYOUOYMCOHSN-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.2.0]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.4
[M+Na]+ 136.07328 125.3
[M+NH4]+ 131.11788 126.0
[M+K]+ 152.04722 124.3
[M-H]- 112.07678 120.7
[M+Na-2H]- 134.05873 121.2
[M]+ 113.08351 119.7
[M]- 113.08461 119.7
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.