CID 170913210

2-[(tert-butoxy)carbonyl]-1-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4-carboxylic acid

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1(CC2)CO)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-12(2,3)20-11(19)15-8-13(10(17)18)4-6-14(15,9-16)7-5-13/h16H,4-9H2,1-3H3,(H,17,18)
InChIKey
ZOAFJQDMLCMCFC-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 172.2
[M+Na]+ 308.146838 175.6
[M-H]- 284.150344 164.3
[M+NH4]+ 303.191443 193.4
[M+K]+ 324.120778 174.5
[M+H-H2O]+ 268.154880 168.7
[M+HCOO]- 330.155821 175.5
[M+CH3COO]- 344.171471 198.5
[M+Na-2H]- 306.132286 181.7
[M]+ 285.15707142 175.0
[M]- 285.15816858 175.0
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

No patent data available for this compound.