CID 82229626

1385696-74-1

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

COCC1(CCOCC1)CN

InChI

InChI=1S/C8H17NO2/c1-10-7-8(6-9)2-4-11-5-3-8/h2-7,9H2,1H3

InChIKey

WYCQVILRXOLJBC-UHFFFAOYSA-N

Compound name

[4-(methoxymethyl)oxan-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12593 Da
Monoisotopic Mass: -0.4
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]+	160.13321	135.3
[M+Na]+	182.11515	140.0
[M-H]-	158.11865	138.3
[M+NH4]+	177.15975	156.0
[M+K]+	198.08909	140.8
[M+H-H2O]+	142.12319	130.0
[M+HCOO]-	204.12413	155.7
[M+CH3COO]-	218.13978	177.1
[M+Na-2H]-	180.10060	142.4
[M]+	159.12538	132.6
[M]-	159.12648	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe