CID 72207308

1389264-36-1

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C1C2CC1CNC2

InChI

InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-6(7)4-9-3-5/h5-7,9H,2-4H2,1H3

InChIKey

PPFNTLCZEGSHSC-UHFFFAOYSA-N

Compound name

methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 155.09464 Da
Monoisotopic Mass: 0.1
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]+	156.10192	140.3
[M+Na]+	178.08386	144.4
[M-H]-	154.08736	136.5
[M+NH4]+	173.12846	156.9
[M+K]+	194.05780	146.3
[M+H-H2O]+	138.09190	131.1
[M+HCOO]-	200.09284	151.1
[M+CH3COO]-	214.10849	181.7
[M+Na-2H]-	176.06931	149.0
[M]+	155.09409	149.8
[M]-	155.09519	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe