CID 165951432

2694728-73-7

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC12CC(C1)(C(O2)CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-5-8-13(9(15)16)6-12(4,7-13)18-8/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
HLRWVFDJFRAKPA-UHFFFAOYSA-N
Compound name
1-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-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 161.8
[M+Na]+ 294.13119 161.0
[M+NH4]+ 289.17579 166.4
[M+K]+ 310.10513 161.3
[M-H]- 270.13469 154.8
[M+Na-2H]- 292.11664 156.6
[M]+ 271.14142 158.3
[M]- 271.14252 158.3
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.