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 163.4
[M+Na]+ 294.13119 166.2
[M-H]- 270.13469 158.7
[M+NH4]+ 289.17579 185.4
[M+K]+ 310.10513 167.0
[M+H-H2O]+ 254.13923 160.0
[M+HCOO]- 316.14017 170.1
[M+CH3COO]- 330.15582 199.2
[M+Na-2H]- 292.11664 175.8
[M]+ 271.14142 166.7
[M]- 271.14252 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