CID 84220683

1353649-31-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2CCC1(CC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-9-4-6-13(14,7-5-9)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
KSARFNLFJSOYFG-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 156.6
[M+Na]+ 278.13628 163.3
[M+NH4]+ 273.18088 165.5
[M+K]+ 294.11022 158.0
[M-H]- 254.13978 151.1
[M+Na-2H]- 276.12173 153.2
[M]+ 255.14651 155.8
[M]- 255.14761 155.8
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