CID 137944457

2287299-77-6

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1C2(CN1)CNC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C11H12N2O2/c14-10-8-3-1-2-4-9(8)15-11(7-13-10)5-12-6-11/h1-4,12H,5-7H2,(H,13,14)
InChIKey
CPBRIAKAVYPATC-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-azetidine]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 140.9
[M+Na]+ 227.079088 146.4
[M-H]- 203.082594 143.7
[M+NH4]+ 222.123693 150.7
[M+K]+ 243.053028 148.4
[M+H-H2O]+ 187.087130 130.1
[M+HCOO]- 249.088071 154.0
[M+CH3COO]- 263.103721 151.1
[M+Na-2H]- 225.064536 148.7
[M]+ 204.08932142 141.7
[M]- 204.09041858 141.7
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

No patent data available for this compound.