CID 2724644

95630-76-5

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)C1C2CCC(C2)C1N

InChI

InChI=1S/C10H17NO2/c1-2-13-10(12)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3

InChIKey

UIFFSCXLBNDAFP-UHFFFAOYSA-N

Compound name

ethyl 3-aminobicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 183.12593 Da
Monoisotopic Mass: 1.4
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]+	184.13321	143.1
[M+Na]+	206.11515	149.4
[M-H]-	182.11865	145.4
[M+NH4]+	201.15975	167.8
[M+K]+	222.08909	147.9
[M+H-H2O]+	166.12319	138.8
[M+HCOO]-	228.12413	164.0
[M+CH3COO]-	242.13978	184.3
[M+Na-2H]-	204.10060	144.0
[M]+	183.12538	141.7
[M]-	183.12648	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe