CID 136589259

2173999-18-1

Structural Information

Molecular Formula
C8H15NO
SMILES
C1C[C@H]2[C@H](CCO2)CNC1
InChI
InChI=1S/C8H15NO/c1-2-8-7(3-5-10-8)6-9-4-1/h7-9H,1-6H2/t7-,8+/m1/s1
InChIKey
JOHMKRKCPSIXHW-SFYZADRCSA-N
Compound name
(3aR,8aS)-3,3a,4,5,6,7,8,8a-octahydro-2H-furo[3,2-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 126.6
[M+Na]+ 164.10459 129.7
[M-H]- 140.10809 129.0
[M+NH4]+ 159.14919 145.8
[M+K]+ 180.07853 131.7
[M+H-H2O]+ 124.11263 120.9
[M+HCOO]- 186.11357 142.3
[M+CH3COO]- 200.12922 138.1
[M+Na-2H]- 162.09004 131.9
[M]+ 141.11482 117.7
[M]- 141.11592 117.7
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.