CID 104525442

933753-41-4

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1COC2=C(C=C(C=C2)C=O)C(=O)N1
InChI
InChI=1S/C10H9NO3/c12-6-7-1-2-9-8(5-7)10(13)11-3-4-14-9/h1-2,5-6H,3-4H2,(H,11,13)
InChIKey
CPLVNOMCIQBHTM-UHFFFAOYSA-N
Compound name
5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 138.4
[M+Na]+ 214.04746 149.1
[M+NH4]+ 209.09206 145.2
[M+K]+ 230.02140 145.2
[M-H]- 190.05096 140.2
[M+Na-2H]- 212.03291 142.9
[M]+ 191.05769 140.3
[M]- 191.05879 140.3
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

No patent data available for this compound.