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]+ 114.091336 120.8
[M+Na]+ 136.073278 129.8
[M-H]- 112.076784 126.5
[M+NH4]+ 131.117883 138.2
[M+K]+ 152.047218 129.0
[M+H-H2O]+ 96.081320 115.3
[M+HCOO]- 158.082261 141.7
[M+CH3COO]- 172.097911 174.3
[M+Na-2H]- 134.058726 129.4
[M]+ 113.08351142 120.2
[M]- 113.08460858 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.