CID 59897856

8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=CC2=C(C=C1)C(=O)NCCO2
InChI
InChI=1S/C10H11NO3/c1-13-7-2-3-8-9(6-7)14-5-4-11-10(8)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
HPFHVUXTDUJDAJ-UHFFFAOYSA-N
Compound name
8-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

193.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 134.8
[M+Na]+ 216.06312 141.3
[M-H]- 192.06662 138.5
[M+NH4]+ 211.10772 151.1
[M+K]+ 232.03706 144.2
[M+H-H2O]+ 176.07116 129.2
[M+HCOO]- 238.07210 152.7
[M+CH3COO]- 252.08775 181.9
[M+Na-2H]- 214.04857 142.5
[M]+ 193.07335 131.7
[M]- 193.07445 131.7
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