CID 83826794

2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1COC2=C(CN1)C=CC(=C2)O
InChI
InChI=1S/C9H11NO2/c11-8-2-1-7-6-10-3-4-12-9(7)5-8/h1-2,5,10-11H,3-4,6H2
InChIKey
JILNIAMTKRTMFM-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.5
[M+Na]+ 188.06820 142.8
[M+NH4]+ 183.11280 140.2
[M+K]+ 204.04214 139.0
[M-H]- 164.07170 134.7
[M+Na-2H]- 186.05365 137.5
[M]+ 165.07843 134.5
[M]- 165.07953 134.5
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.