CID 13609760

(e)-3,4,4a,5,6,11b-hexahydro-2h-(1)benzoxepino(5,4-b)(1,4)oxazine hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1COC2=CC=CC=C2C3C1NCCO3
InChI
InChI=1S/C12H15NO2/c1-2-4-11-9(3-1)12-10(5-7-14-11)13-6-8-15-12/h1-4,10,12-13H,5-8H2
InChIKey
NASTXOBXIXITSK-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 139.0
[M+Na]+ 228.09950 143.6
[M-H]- 204.10300 143.2
[M+NH4]+ 223.14410 154.1
[M+K]+ 244.07344 145.5
[M+H-H2O]+ 188.10754 133.1
[M+HCOO]- 250.10848 152.2
[M+CH3COO]- 264.12413 150.0
[M+Na-2H]- 226.08495 147.8
[M]+ 205.10973 132.2
[M]- 205.11083 132.2
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