CID 71777992

1236862-45-5

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C(=O)C2=CC=CC=C2OC13CNC3
InChI
InChI=1S/C11H11NO2/c13-9-5-11(6-12-7-11)14-10-4-2-1-3-8(9)10/h1-4,12H,5-7H2
InChIKey
FSXOWOYOGDSZJW-UHFFFAOYSA-N
Compound name
spiro[3H-chromene-2,3'-azetidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 133.3
[M+Na]+ 212.068198 140.4
[M-H]- 188.071704 137.8
[M+NH4]+ 207.112803 146.6
[M+K]+ 228.042138 141.2
[M+H-H2O]+ 172.076240 122.2
[M+HCOO]- 234.077181 149.7
[M+CH3COO]- 248.092831 145.7
[M+Na-2H]- 210.053646 142.8
[M]+ 189.07843142 138.7
[M]- 189.07952858 138.7
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