CID 85948

16048-42-3

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H20N2O4/c1-17-12-5-6-13(17)10-15(9-12)22-16(19)8-11-3-2-4-14(7-11)18(20)21/h2-4,7,12-13,15H,5-6,8-10H2,1H3
InChIKey
MJDYHVVYJLZLPX-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 168.2
[M+Na]+ 327.13152 178.8
[M+NH4]+ 322.17612 175.7
[M+K]+ 343.10546 177.4
[M-H]- 303.13502 171.0
[M+Na-2H]- 325.11697 170.6
[M]+ 304.14175 170.1
[M]- 304.14285 170.1
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.