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]+ 272.14925 162.4
[M+Na]+ 294.13119 167.5
[M-H]- 270.13469 162.4
[M+NH4]+ 289.17579 180.7
[M+K]+ 310.10513 167.9
[M+H-H2O]+ 254.13923 158.3
[M+HCOO]- 316.14017 174.3
[M+CH3COO]- 330.15582 193.1
[M+Na-2H]- 292.11664 166.5
[M]+ 271.14142 163.5
[M]- 271.14252 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.