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]+ 230.117556 153.4
[M+Na]+ 252.099498 165.7
[M-H]- 228.103004 161.1
[M+NH4]+ 247.144103 170.6
[M+K]+ 268.073438 161.2
[M+H-H2O]+ 212.107540 147.8
[M+HCOO]- 274.108481 174.6
[M+CH3COO]- 288.124131 194.6
[M+Na-2H]- 250.084946 157.0
[M]+ 229.10973142 158.1
[M]- 229.11082858 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