CID 3051495

Brn 0273247

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1C2CCC(C1CC2)COC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO3/c1-19-15-8-7-14(17(19)10-9-15)12-22-18(21)16(11-20)13-5-3-2-4-6-13/h2-6,14-17,20H,7-12H2,1H3
InChIKey
RQZCVQMEDAJOPQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 174.2
[M+Na]+ 326.172658 177.4
[M-H]- 302.176164 176.2
[M+NH4]+ 321.217263 190.1
[M+K]+ 342.146598 173.9
[M+H-H2O]+ 286.180700 166.7
[M+HCOO]- 348.181641 187.7
[M+CH3COO]- 362.197291 202.8
[M+Na-2H]- 324.158106 173.4
[M]+ 303.18289142 172.1
[M]- 303.18398858 172.1
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