CID 67324931

4,4-dimethoxyoxan-3-amine

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

COC1(CCOCC1N)OC

InChI

InChI=1S/C7H15NO3/c1-9-7(10-2)3-4-11-5-6(7)8/h6H,3-5,8H2,1-2H3

InChIKey

UTCWJKHFXGXOQU-UHFFFAOYSA-N

Compound name

4,4-dimethoxyoxan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 161.1052 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]+	162.112476	133.0
[M+Na]+	184.094418	139.1
[M-H]-	160.097924	136.5
[M+NH4]+	179.139023	153.9
[M+K]+	200.068358	140.6
[M+H-H2O]+	144.102460	128.0
[M+HCOO]-	206.103401	154.0
[M+CH3COO]-	220.119051	177.3
[M+Na-2H]-	182.079866	140.1
[M]+	161.10465142	131.8
[M]-	161.10574858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe