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 142.5
[M+Na]+ 194.07876 148.2
[M-H]- 170.08226 144.0
[M+NH4]+ 189.12336 165.1
[M+K]+ 210.05270 151.0
[M+H-H2O]+ 154.08680 136.6
[M+HCOO]- 216.08774 160.0
[M+CH3COO]- 230.10339 184.1
[M+Na-2H]- 192.06421 151.1
[M]+ 171.08899 156.2
[M]- 171.09009 156.2
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.