CID 74892040

2736959-91-2

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CO[C@H]2[C@@H]1[C@H](C2)N
InChI
InChI=1S/C6H11NO/c7-5-3-6-4(5)1-2-8-6/h4-6H,1-3,7H2/t4-,5-,6+/m0/s1
InChIKey
QTSOGHFBXHIBFM-HCWXCVPCSA-N
Compound name
(1R,5S,6S)-2-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

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 116.0
[M+Na]+ 136.073278 121.8
[M-H]- 112.076784 120.6
[M+NH4]+ 131.117883 133.3
[M+K]+ 152.047218 125.0
[M+H-H2O]+ 96.081320 106.8
[M+HCOO]- 158.082261 137.1
[M+CH3COO]- 172.097911 173.6
[M+Na-2H]- 134.058726 122.7
[M]+ 113.08351142 121.9
[M]- 113.08460858 121.9
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.