CID 95241200

2138554-98-8

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C[C@@H]2[C@H]([C@@H]2OC1)N
InChI
InChI=1S/C6H11NO/c7-5-4-2-1-3-8-6(4)5/h4-6H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKey
HEOZZUBPQNUUPG-HSUXUTPPSA-N
Compound name
(1R,6R,7R)-2-oxabicyclo[4.1.0]heptan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 120.8
[M+Na]+ 136.07328 133.0
[M+NH4]+ 131.11788 131.1
[M+K]+ 152.04722 129.2
[M-H]- 112.07678 131.5
[M+Na-2H]- 134.05873 127.9
[M]+ 113.08351 126.5
[M]- 113.08461 126.5
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.