CID 85721

Tmt hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(CC(=O)OC1CC2CCC(C1)N2C)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H25NO3/c1-18(21,13-6-4-3-5-7-13)12-17(20)22-16-10-14-8-9-15(11-16)19(14)2/h3-7,14-16,21H,8-12H2,1-2H3
InChIKey
MNQFAUOLCXQFIB-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-3-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

303.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 174.5
[M+Na]+ 326.172658 178.4
[M-H]- 302.176164 176.8
[M+NH4]+ 321.217263 190.6
[M+K]+ 342.146598 175.0
[M+H-H2O]+ 286.180700 167.7
[M+HCOO]- 348.181641 187.4
[M+CH3COO]- 362.197291 202.4
[M+Na-2H]- 324.158106 175.9
[M]+ 303.18289142 172.6
[M]- 303.18398858 172.6
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.