CID 137965722

2230799-70-7

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCOC(=O)C12CC(C1)(OC2)CN

InChI

InChI=1S/C9H15NO3/c1-2-12-7(11)8-3-9(4-8,5-10)13-6-8/h2-6,10H2,1H3

InChIKey

GOGUXIPQULTGMV-UHFFFAOYSA-N

Compound name

ethyl 1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.1052 Da
Monoisotopic Mass: -0.7
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]+	186.112476	147.3
[M+Na]+	208.094418	152.6
[M-H]-	184.097924	148.5
[M+NH4]+	203.139023	169.4
[M+K]+	224.068358	155.1
[M+H-H2O]+	168.102460	141.2
[M+HCOO]-	230.103401	164.4
[M+CH3COO]-	244.119051	186.9
[M+Na-2H]-	206.079866	155.3
[M]+	185.10465142	161.2
[M]-	185.10574858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.