CID 145867344

2375259-50-8

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C12CC(C1)(CO2)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-8(14-10(17)19-11(2,3)4)13-5-12(6-13,7-18-13)9(15)16/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
UVWIFKMZBFIVGF-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 176.7
[M+Na]+ 294.131188 179.0
[M-H]- 270.134694 176.4
[M+NH4]+ 289.175793 194.5
[M+K]+ 310.105128 182.7
[M+H-H2O]+ 254.139230 171.5
[M+HCOO]- 316.140171 188.1
[M+CH3COO]- 330.155821 200.6
[M+Na-2H]- 292.116636 182.3
[M]+ 271.14142142 191.3
[M]- 271.14251858 191.3
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

No patent data available for this compound.