CID 443005

Littorine

Structural Information

Molecular Formula
C17H23NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)[C@@H](CC3=CC=CC=C3)O
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1
InChIKey
FNRXUEYLFZLOEZ-LGGPCSOHSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

51
Patents

289.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 168.9
[M+Na]+ 312.15702 178.2
[M+NH4]+ 307.20162 176.5
[M+K]+ 328.13096 174.4
[M-H]- 288.16052 170.0
[M+Na-2H]- 310.14247 171.0
[M]+ 289.16725 170.2
[M]- 289.16835 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe