CID 9860783

2-oxa-5,8-diazabicyclo[4.3.0]nonane dihydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CO[C@@H]2CNC[C@@H]2N1
InChI
InChI=1S/C6H12N2O/c1-2-9-6-4-7-3-5(6)8-1/h5-8H,1-4H2/t5-,6+/m0/s1
InChIKey
UMIZTIYZNFUATK-NTSWFWBYSA-N
Compound name
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.1
[M+Na]+ 151.08418 136.3
[M+NH4]+ 146.12878 135.5
[M+K]+ 167.05812 133.3
[M-H]- 127.08768 128.1
[M+Na-2H]- 149.06963 129.4
[M]+ 128.09441 128.3
[M]- 128.09551 128.3
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

patents stripe