CID 53212899

8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
COC1=CC2=C(CNCCO2)C=C1
InChI
InChI=1S/C10H13NO2/c1-12-9-3-2-8-7-11-4-5-13-10(8)6-9/h2-3,6,11H,4-5,7H2,1H3
InChIKey
YCWLGZVKXHEITQ-UHFFFAOYSA-N
Compound name
8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 136.6
[M+Na]+ 202.08386 147.3
[M+NH4]+ 197.12846 144.5
[M+K]+ 218.05780 143.0
[M-H]- 178.08736 139.3
[M+Na-2H]- 200.06931 142.0
[M]+ 179.09409 138.9
[M]- 179.09519 138.9
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