CID 132327572

2126143-68-6

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C[C@]2([C@@H]1CCN2)C3=CC=CO3
InChI
InChI=1S/C10H13NO/c1-2-9(12-7-1)10-5-3-8(10)4-6-11-10/h1-2,7-8,11H,3-6H2/t8-,10-/m0/s1
InChIKey
NWARMJFBEFUNJK-WPRPVWTQSA-N
Compound name
(1S,5S)-1-(furan-2-yl)-2-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 128.0
[M+Na]+ 186.08894 134.1
[M-H]- 162.09244 133.7
[M+NH4]+ 181.13354 145.2
[M+K]+ 202.06288 135.2
[M+H-H2O]+ 146.09698 118.9
[M+HCOO]- 208.09792 147.3
[M+CH3COO]- 222.11357 141.3
[M+Na-2H]- 184.07439 134.0
[M]+ 163.09917 134.1
[M]- 163.10027 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.