CID 58414822

Tert-butyl 3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1C2CCCC1CC(C2)O
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-11,15H,4-8H2,1-3H3
InChIKey
GGTYYYZFCWRSSG-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 156.5
[M+Na]+ 264.15702 164.9
[M+NH4]+ 259.20162 163.7
[M+K]+ 280.13096 160.7
[M-H]- 240.16052 155.2
[M+Na-2H]- 262.14247 156.8
[M]+ 241.16725 157.0
[M]- 241.16835 157.0
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