CID 56548

Nsc 263556

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCC3CCC2N3C)O
InChI
InChI=1S/C20H27NO3/c1-14(2)20(23,16-7-5-4-6-8-16)19(22)24-13-15-9-10-17-11-12-18(15)21(17)3/h4-9,14,17-18,23H,10-13H2,1-3H3
InChIKey
HOJNIJKBHYQFTN-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 182.3
[M+Na]+ 352.18832 185.9
[M-H]- 328.19182 184.7
[M+NH4]+ 347.23292 197.2
[M+K]+ 368.16226 182.5
[M+H-H2O]+ 312.19636 175.3
[M+HCOO]- 374.19730 194.9
[M+CH3COO]- 388.21295 208.8
[M+Na-2H]- 350.17377 182.5
[M]+ 329.19855 181.9
[M]- 329.19965 181.9
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