CID 122551193

2010218-26-3

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(OC2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-12-4-6-13(7-5-12,9(15)16)18-8-12/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ATWNWSCQWJSLIZ-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

271.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 159.4
[M+Na]+ 294.13119 164.5
[M+NH4]+ 289.17579 169.1
[M+K]+ 310.10513 158.2
[M-H]- 270.13469 155.5
[M+Na-2H]- 292.11664 156.9
[M]+ 271.14142 158.9
[M]- 271.14252 158.9
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