CID 12719821

66504-35-6

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=CC=C(C=C1)C23CC2C(=O)NC3=O
InChI
InChI=1S/C12H11NO3/c1-16-8-4-2-7(3-5-8)12-6-9(12)10(14)13-11(12)15/h2-5,9H,6H2,1H3,(H,13,14,15)
InChIKey
NFGZVNREIPIDST-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 150.4
[M+Na]+ 240.06312 163.9
[M+NH4]+ 235.10772 160.3
[M+K]+ 256.03706 159.2
[M-H]- 216.06662 159.3
[M+Na-2H]- 238.04857 158.9
[M]+ 217.07335 156.0
[M]- 217.07445 156.0
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