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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.096816	135.8
[M+Na]+	194.078758	141.8
[M-H]-	170.082264	136.0
[M+NH4]+	189.123363	157.8
[M+K]+	210.052698	141.7
[M+H-H2O]+	154.086800	130.9
[M+HCOO]-	216.087741	151.4
[M+CH3COO]-	230.103391	173.4
[M+Na-2H]-	192.064206	142.5
[M]+	171.08899142	133.6
[M]-	171.09008858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.