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

45
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.175076 158.4
[M+Na]+ 264.157018 162.7
[M-H]- 240.160524 157.5
[M+NH4]+ 259.201623 175.9
[M+K]+ 280.130958 161.1
[M+H-H2O]+ 224.165060 152.9
[M+HCOO]- 286.166001 169.4
[M+CH3COO]- 300.181651 190.8
[M+Na-2H]- 262.142466 161.7
[M]+ 241.16725142 155.1
[M]- 241.16834858 155.1
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