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]+ 142.122646 126.6
[M+Na]+ 164.104588 129.7
[M-H]- 140.108094 129.0
[M+NH4]+ 159.149193 145.8
[M+K]+ 180.078528 131.7
[M+H-H2O]+ 124.112630 120.9
[M+HCOO]- 186.113571 142.3
[M+CH3COO]- 200.129221 138.1
[M+Na-2H]- 162.090036 131.9
[M]+ 141.11482142 117.7
[M]- 141.11591858 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.