CID 137935480

2248209-43-8

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C1CCN2[C@H](C1)COC[C@@]23CNCCOC3
InChI
InChI=1S/C12H22N2O2/c1-2-5-14-11(3-1)7-16-10-12(14)8-13-4-6-15-9-12/h11,13H,1-10H2/t11-,12+/m1/s1
InChIKey
XUHBHDUGFFWFGC-NEPJUHHUSA-N
Compound name
(6S,9'aR)-spiro[1,4-oxazepane-6,4'-3,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 149.4
[M+Na]+ 249.15734 150.5
[M-H]- 225.16084 151.8
[M+NH4]+ 244.20194 162.7
[M+K]+ 265.13128 152.4
[M+H-H2O]+ 209.16538 140.3
[M+HCOO]- 271.16632 157.0
[M+CH3COO]- 285.18197 157.6
[M+Na-2H]- 247.14279 155.1
[M]+ 226.16757 136.7
[M]- 226.16867 136.7
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.