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

25
Patents

178.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 133.1
[M+Na]+ 201.063448 139.4
[M-H]- 177.066954 136.5
[M+NH4]+ 196.108053 149.5
[M+K]+ 217.037388 141.8
[M+H-H2O]+ 161.071490 127.2
[M+HCOO]- 223.072431 151.5
[M+CH3COO]- 237.088081 145.2
[M+Na-2H]- 199.048896 140.5
[M]+ 178.07368142 126.7
[M]- 178.07477858 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