CID 176454275

(2r,3r)-3-hydroxylittorine

Structural Information

Molecular Formula
C17H23NO4
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H]([C@@H](C3=CC=CC=C3)O)O
InChI
InChI=1S/C17H23NO4/c1-18-12-7-8-13(18)10-14(9-12)22-17(21)16(20)15(19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13+,14?,15-,16-/m1/s1
InChIKey
ICNRKLDCUFWQFF-GZNJTBKBSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R,3R)-2,3-dihydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.2
[M+Na]+ 328.15194 174.9
[M-H]- 304.15544 173.2
[M+NH4]+ 323.19654 187.1
[M+K]+ 344.12588 172.2
[M+H-H2O]+ 288.15998 165.4
[M+HCOO]- 350.16092 183.7
[M+CH3COO]- 364.17657 200.7
[M+Na-2H]- 326.13739 170.7
[M]+ 305.16217 168.9
[M]- 305.16327 168.9
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

No patent data available for this compound.