CID 137949433

2162736-02-7

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CC(=O)O)N
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-9-4-5-10(16)7-14(15,6-9)8-11(17)18/h9-10H,4-8,15H2,1-3H3,(H,17,18)
InChIKey
WXRONYJECXXMAI-UHFFFAOYSA-N
Compound name
2-[3-amino-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 168.2
[M+Na]+ 307.16282 172.8
[M-H]- 283.16632 167.1
[M+NH4]+ 302.20742 186.9
[M+K]+ 323.13676 171.4
[M+H-H2O]+ 267.17086 164.0
[M+HCOO]- 329.17180 180.7
[M+CH3COO]- 343.18745 199.7
[M+Na-2H]- 305.14827 169.7
[M]+ 284.17305 166.2
[M]- 284.17415 166.2
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.