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]+ 256.154336 163.5
[M+Na]+ 278.136278 166.8
[M-H]- 254.139784 157.0
[M+NH4]+ 273.180883 184.8
[M+K]+ 294.110218 165.9
[M+H-H2O]+ 238.144320 159.5
[M+HCOO]- 300.145261 168.7
[M+CH3COO]- 314.160911 196.0
[M+Na-2H]- 276.121726 172.4
[M]+ 255.14651142 165.7
[M]- 255.14760858 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