CID 19891363

1022969-21-6

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1COC2=C(C=C(C=C2)N)C(=O)N1
InChI
InChI=1S/C9H10N2O2/c10-6-1-2-8-7(5-6)9(12)11-3-4-13-8/h1-2,5H,3-4,10H2,(H,11,12)
InChIKey
FILSGOOINMONSL-UHFFFAOYSA-N
Compound name
7-amino-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

178.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.1
[M+Na]+ 201.06345 139.4
[M-H]- 177.06695 136.5
[M+NH4]+ 196.10805 149.5
[M+K]+ 217.03739 141.8
[M+H-H2O]+ 161.07149 127.2
[M+HCOO]- 223.07243 151.5
[M+CH3COO]- 237.08808 145.2
[M+Na-2H]- 199.04890 140.5
[M]+ 178.07368 126.7
[M]- 178.07478 126.7
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