CID 79827

5754-35-8

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COC(O1)CCN

InChI

InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2

InChIKey

JNAQYWWCTUEVKR-UHFFFAOYSA-N

Compound name

2-(1,3-dioxolan-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 269
Patents: 117.07898 Da
Monoisotopic Mass: -0.7
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	122.9
[M+Na]+	140.068198	128.9
[M-H]-	116.071704	126.8
[M+NH4]+	135.112803	143.8
[M+K]+	156.042138	130.9
[M+H-H2O]+	100.076240	117.8
[M+HCOO]-	162.077181	145.4
[M+CH3COO]-	176.092831	168.2
[M+Na-2H]-	138.053646	130.1
[M]+	117.07843142	121.4
[M]-	117.07952858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe