CID 3064603

Benzo(6,7)cyclohept(1,2-b)-1,4-oxazin-3(2h)-one, 4,4a,5,6,7,11b-hexahydro-, trans-

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCC(=O)N2
InChI
InChI=1S/C13H15NO2/c15-12-8-16-13-10-6-2-1-4-9(10)5-3-7-11(13)14-12/h1-2,4,6,11,13H,3,5,7-8H2,(H,14,15)/t11-,13-/m0/s1
InChIKey
OYVCGOXGFFKUBJ-AAEUAGOBSA-N
Compound name
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 143.4
[M+Na]+ 240.09950 148.6
[M-H]- 216.10300 147.2
[M+NH4]+ 235.14410 159.5
[M+K]+ 256.07344 149.1
[M+H-H2O]+ 200.10754 137.7
[M+HCOO]- 262.10848 157.3
[M+CH3COO]- 276.12413 154.3
[M+Na-2H]- 238.08495 150.4
[M]+ 217.10973 136.1
[M]- 217.11083 136.1
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.