CID 154853184

2445785-75-9

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COCC12CC(C1)(CO2)N

InChI

InChI=1S/C7H13NO2/c1-9-5-7-2-6(8,3-7)4-10-7/h2-5,8H2,1H3

InChIKey

WZQRBLBOKUHURS-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: -1.0
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]+	144.10192	124.9
[M+Na]+	166.08386	127.6
[M+NH4]+	161.12846	133.4
[M+K]+	182.05780	125.2
[M-H]-	142.08736	121.7
[M+Na-2H]-	164.06931	123.7
[M]+	143.09409	123.2
[M]-	143.09519	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe