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

23
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 132.8
[M+Na]+ 202.08386 138.3
[M-H]- 178.08736 136.1
[M+NH4]+ 197.12846 149.5
[M+K]+ 218.05780 140.9
[M+H-H2O]+ 162.09190 127.1
[M+HCOO]- 224.09284 150.4
[M+CH3COO]- 238.10849 144.9
[M+Na-2H]- 200.06931 141.1
[M]+ 179.09409 128.6
[M]- 179.09519 128.6
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