CID 3064604

Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-, (e)-(+-)-

Structural Information

Molecular Formula
C13H17NO
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2
InChI
InChI=1S/C13H17NO/c1-2-6-11-10(4-1)5-3-7-12-13(11)15-9-8-14-12/h1-2,4,6,12-14H,3,5,7-9H2/t12-,13-/m0/s1
InChIKey
YOWGNMRTYGYJJP-STQMWFEESA-N
Compound name
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.1
[M+Na]+ 226.12023 156.7
[M+NH4]+ 221.16483 155.1
[M+K]+ 242.09417 151.0
[M-H]- 202.12373 149.8
[M+Na-2H]- 224.10568 150.6
[M]+ 203.13046 148.7
[M]- 203.13156 148.7
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.