CID 91654364

Rac-(3ar,7ar)-octahydrofuro[3,2-c]pyridin-4-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CNC(=O)[C@H]2[C@@H]1OCC2
InChI
InChI=1S/C7H11NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6-/m1/s1
InChIKey
YWXONHAIDJVGKV-PHDIDXHHSA-N
Compound name
(3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 127.6
[M+Na]+ 164.068198 133.9
[M-H]- 140.071704 129.3
[M+NH4]+ 159.112803 148.5
[M+K]+ 180.042138 133.1
[M+H-H2O]+ 124.076240 122.2
[M+HCOO]- 186.077181 144.6
[M+CH3COO]- 200.092831 168.4
[M+Na-2H]- 162.053646 133.2
[M]+ 141.07843142 122.4
[M]- 141.07952858 122.4
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.