CID 50999116

273207-58-2

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)CO
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15/h9-11,15H,4-8H2,1-3H3/t9?,10-,11+
InChIKey
WPHYDBXMMSEFTR-FGWVZKOKSA-N
Compound name
tert-butyl (1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

241.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 159.9
[M+Na]+ 264.15702 165.1
[M-H]- 240.16052 159.4
[M+NH4]+ 259.20162 179.3
[M+K]+ 280.13096 163.3
[M+H-H2O]+ 224.16506 155.1
[M+HCOO]- 286.16600 173.1
[M+CH3COO]- 300.18165 190.3
[M+Na-2H]- 262.14247 161.7
[M]+ 241.16725 158.7
[M]- 241.16835 158.7
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