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 148.4
[M+Na]+ 240.06312 160.3
[M-H]- 216.06662 154.8
[M+NH4]+ 235.10772 165.1
[M+K]+ 256.03706 155.7
[M+H-H2O]+ 200.07116 143.1
[M+HCOO]- 262.07210 169.0
[M+CH3COO]- 276.08775 187.3
[M+Na-2H]- 238.04857 153.4
[M]+ 217.07335 151.8
[M]- 217.07445 151.8
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