CID 68278598

6,6-dimethyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C14H15NO2
SMILES
CC1(C2C1C(=O)N(C2=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C14H15NO2/c1-14(2)10-11(14)13(17)15(12(10)16)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKey
YWZCNFAKNHKAHM-UHFFFAOYSA-N
Compound name
3-benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 153.4
[M+Na]+ 252.09950 165.7
[M-H]- 228.10300 161.1
[M+NH4]+ 247.14410 170.6
[M+K]+ 268.07344 161.2
[M+H-H2O]+ 212.10754 147.8
[M+HCOO]- 274.10848 174.6
[M+CH3COO]- 288.12413 194.6
[M+Na-2H]- 250.08495 157.0
[M]+ 229.10973 158.1
[M]- 229.11083 158.1
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