CID 13670

943-34-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCOC(=O)N1C2C1C3CCC2C3

InChI

InChI=1S/C10H15NO2/c1-2-13-10(12)11-8-6-3-4-7(5-6)9(8)11/h6-9H,2-5H2,1H3

InChIKey

DZOOLBXFQXIOFA-UHFFFAOYSA-N

Compound name

ethyl 3-azatricyclo[3.2.1.02,4]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 1.5
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]+	182.11756	145.5
[M+Na]+	204.09950	155.8
[M-H]-	180.10300	148.8
[M+NH4]+	199.14410	165.5
[M+K]+	220.07344	151.9
[M+H-H2O]+	164.10754	140.6
[M+HCOO]-	226.10848	163.8
[M+CH3COO]-	240.12413	185.6
[M+Na-2H]-	202.08495	148.1
[M]+	181.10973	149.8
[M]-	181.11083	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe