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

30
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 163.5
[M+Na]+ 278.13628 166.8
[M-H]- 254.13978 157.0
[M+NH4]+ 273.18088 184.8
[M+K]+ 294.11022 165.9
[M+H-H2O]+ 238.14432 159.5
[M+HCOO]- 300.14526 168.7
[M+CH3COO]- 314.16091 196.0
[M+Na-2H]- 276.12173 172.4
[M]+ 255.14651 165.7
[M]- 255.14761 165.7
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