CID 165750692

2803855-97-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)C12CC(CCO1)NC2
InChI
InChI=1S/C8H13NO3/c1-11-7(10)8-4-6(9-5-8)2-3-12-8/h6,9H,2-5H2,1H3
InChIKey
HCFWGAVJXPFEAC-UHFFFAOYSA-N
Compound name
methyl 2-oxa-6-azabicyclo[3.2.1]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.8
[M+Na]+ 194.07876 141.8
[M-H]- 170.08226 136.0
[M+NH4]+ 189.12336 157.8
[M+K]+ 210.05270 141.7
[M+H-H2O]+ 154.08680 130.9
[M+HCOO]- 216.08774 151.4
[M+CH3COO]- 230.10339 173.4
[M+Na-2H]- 192.06421 142.5
[M]+ 171.08899 133.6
[M]- 171.09009 133.6
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.