CID 83904785

1554288-27-5

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

COC1(COC1)CN

InChI

InChI=1S/C5H11NO2/c1-7-5(2-6)3-8-4-5/h2-4,6H2,1H3

InChIKey

NFVKWJHBOZALKW-UHFFFAOYSA-N

Compound name

(3-methoxyoxetan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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]+	118.086256	120.3
[M+Na]+	140.068198	126.0
[M-H]-	116.071704	124.3
[M+NH4]+	135.112803	136.4
[M+K]+	156.042138	130.6
[M+H-H2O]+	100.076240	111.2
[M+HCOO]-	162.077181	142.6
[M+CH3COO]-	176.092831	173.3
[M+Na-2H]-	138.053646	129.0
[M]+	117.07843142	128.9
[M]-	117.07952858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe