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

44
Patents

271.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 163.4
[M+Na]+ 294.131188 166.2
[M-H]- 270.134694 158.7
[M+NH4]+ 289.175793 185.4
[M+K]+ 310.105128 167.0
[M+H-H2O]+ 254.139230 160.0
[M+HCOO]- 316.140171 170.1
[M+CH3COO]- 330.155821 199.2
[M+Na-2H]- 292.116636 175.8
[M]+ 271.14142142 166.7
[M]- 271.14251858 166.7
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