CID 145867629

2375259-76-8

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C12CC(C1)(CO2)N
InChI
InChI=1S/C8H13NO3/c1-2-11-6(10)8-3-7(9,4-8)5-12-8/h2-5,9H2,1H3
InChIKey
RTVZYIAHNHRDKB-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 134.1
[M+Na]+ 194.07876 135.8
[M+NH4]+ 189.12336 141.5
[M+K]+ 210.05270 134.2
[M-H]- 170.08226 129.8
[M+Na-2H]- 192.06421 131.7
[M]+ 171.08899 131.9
[M]- 171.09009 131.9
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.