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]+ 166.086256 129.1
[M+Na]+ 188.068198 134.6
[M-H]- 164.071704 131.3
[M+NH4]+ 183.112803 145.7
[M+K]+ 204.042138 136.7
[M+H-H2O]+ 148.076240 123.8
[M+HCOO]- 210.077181 145.6
[M+CH3COO]- 224.092831 141.0
[M+Na-2H]- 186.053646 137.5
[M]+ 165.07843142 122.8
[M]- 165.07952858 122.8
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.