CID 96637742

Rac-(4ar,7as)-hexahydro-2h-[1,4]dioxino[2,3-c]pyrrole hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CO[C@H]2CNC[C@@H]2O1
InChI
InChI=1S/C6H11NO2/c1-2-9-6-4-7-3-5(6)8-1/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKey
HGEIYKJSFPCMLX-WDSKDSINSA-N
Compound name
(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 124.0
[M+Na]+ 152.068198 129.6
[M-H]- 128.071704 126.0
[M+NH4]+ 147.112803 143.8
[M+K]+ 168.042138 130.5
[M+H-H2O]+ 112.076240 118.6
[M+HCOO]- 174.077181 140.1
[M+CH3COO]- 188.092831 136.8
[M+Na-2H]- 150.053646 131.5
[M]+ 129.07843142 119.3
[M]- 129.07952858 119.3
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

patents stripe