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]+ 218.081176 148.4
[M+Na]+ 240.063118 160.3
[M-H]- 216.066624 154.8
[M+NH4]+ 235.107723 165.1
[M+K]+ 256.037058 155.7
[M+H-H2O]+ 200.071160 143.1
[M+HCOO]- 262.072101 169.0
[M+CH3COO]- 276.087751 187.3
[M+Na-2H]- 238.048566 153.4
[M]+ 217.07335142 151.8
[M]- 217.07444858 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