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 129.8
[M-H]- 112.07678 126.5
[M+NH4]+ 131.11788 138.2
[M+K]+ 152.04722 129.0
[M+H-H2O]+ 96.081320 115.3
[M+HCOO]- 158.08226 141.7
[M+CH3COO]- 172.09791 174.3
[M+Na-2H]- 134.05873 129.4
[M]+ 113.08351 120.2
[M]- 113.08461 120.2
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.