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: 3
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]+	144.101916	133.3
[M+Na]+	166.083858	139.8
[M-H]-	142.087364	135.0
[M+NH4]+	161.128463	157.3
[M+K]+	182.057798	142.2
[M+H-H2O]+	126.091900	127.5
[M+HCOO]-	188.092841	151.9
[M+CH3COO]-	202.108491	179.9
[M+Na-2H]-	164.069306	143.5
[M]+	143.09409142	146.7
[M]-	143.09518858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe