CID 93604

8-methyl-3-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CN1CC2CCN(C1C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H17N3O3/c1-15-9-10-6-7-16(13(15)8-10)14(18)11-4-2-3-5-12(11)17(19)20/h2-5,10,13H,6-9H2,1H3
InChIKey
GGYNZODWRZBHDV-UHFFFAOYSA-N
Compound name
(7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(2-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 160.2
[M+Na]+ 298.11620 171.6
[M+NH4]+ 293.16080 167.8
[M+K]+ 314.09014 170.3
[M-H]- 274.11970 162.8
[M+Na-2H]- 296.10165 163.2
[M]+ 275.12643 162.1
[M]- 275.12753 162.1
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

No patent data available for this compound.