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

123
Patents

201.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 145.2
[M+Na]+ 224.06820 156.8
[M-H]- 200.07170 152.6
[M+NH4]+ 219.11280 161.3
[M+K]+ 240.04214 151.9
[M+H-H2O]+ 184.07624 138.7
[M+HCOO]- 246.07718 167.5
[M+CH3COO]- 260.09283 188.2
[M+Na-2H]- 222.05365 149.4
[M]+ 201.07843 148.3
[M]- 201.07953 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