CID 3064619

Trans-2,3,4,4a,5,6,7,11b-octahydro-10-chlorobenzo(6,7)cyclohept(1,2-b)-1,4-oxazine

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1C[C@H]2[C@H](C3=C(C1)C=CC(=C3)Cl)OCCN2
InChI
InChI=1S/C13H16ClNO/c14-10-5-4-9-2-1-3-12-13(11(9)8-10)16-7-6-15-12/h4-5,8,12-13,15H,1-3,6-7H2/t12-,13-/m0/s1
InChIKey
GEEFOJZKWSJTNT-STQMWFEESA-N
Compound name
(2S,7S)-14-chloro-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 150.8
[M+Na]+ 260.08126 162.7
[M+NH4]+ 255.12586 160.1
[M+K]+ 276.05520 156.3
[M-H]- 236.08476 154.7
[M+Na-2H]- 258.06671 155.3
[M]+ 237.09149 154.0
[M]- 237.09259 154.0
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.