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]+ 286.16490 172.2
[M+Na]+ 308.14684 175.6
[M-H]- 284.15034 164.3
[M+NH4]+ 303.19144 193.4
[M+K]+ 324.12078 174.5
[M+H-H2O]+ 268.15488 168.7
[M+HCOO]- 330.15582 175.5
[M+CH3COO]- 344.17147 198.5
[M+Na-2H]- 306.13229 181.7
[M]+ 285.15707 175.0
[M]- 285.15817 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.