CID 2764586

3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1C2C1C(=O)N(C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
JEISWFNRNZRSHM-UHFFFAOYSA-N
Compound name
3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

201.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 145.2
[M+Na]+ 224.068198 156.8
[M-H]- 200.071704 152.6
[M+NH4]+ 219.112803 161.3
[M+K]+ 240.042138 151.9
[M+H-H2O]+ 184.076240 138.7
[M+HCOO]- 246.077181 167.5
[M+CH3COO]- 260.092831 188.2
[M+Na-2H]- 222.053646 149.4
[M]+ 201.07843142 148.3
[M]- 201.07952858 148.3
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