CID 170914155

2-{3-[(tert-butoxy)carbonyl]-6-oxa-3-azabicyclo[3.2.1]octan-1-yl}acetic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)(CO2)CC(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-9-4-13(7-14,8-18-9)5-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
SELITABGUSIOBH-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxa-3-azabicyclo[3.2.1]octan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 162.4
[M+Na]+ 294.131188 167.5
[M-H]- 270.134694 162.4
[M+NH4]+ 289.175793 180.7
[M+K]+ 310.105128 167.9
[M+H-H2O]+ 254.139230 158.3
[M+HCOO]- 316.140171 174.3
[M+CH3COO]- 330.155821 193.1
[M+Na-2H]- 292.116636 166.5
[M]+ 271.14142142 163.5
[M]- 271.14251858 163.5
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.