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]+ 272.14925 176.7
[M+Na]+ 294.13119 179.0
[M-H]- 270.13469 176.4
[M+NH4]+ 289.17579 194.5
[M+K]+ 310.10513 182.7
[M+H-H2O]+ 254.13923 171.5
[M+HCOO]- 316.14017 188.1
[M+CH3COO]- 330.15582 200.6
[M+Na-2H]- 292.11664 182.3
[M]+ 271.14142 191.3
[M]- 271.14252 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.