CID 1519330

Morpholin-4-yl-acetaldehyde hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1COCCN1CC=O

InChI

InChI=1S/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2

InChIKey

KKOPYUKQPCQGEM-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1118
Patents: 129.07898 Da
Monoisotopic Mass: -0.6
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]+	130.086256	125.2
[M+Na]+	152.068198	131.0
[M-H]-	128.071704	127.2
[M+NH4]+	147.112803	144.2
[M+K]+	168.042138	131.9
[M+H-H2O]+	112.076240	118.9
[M+HCOO]-	174.077181	144.8
[M+CH3COO]-	188.092831	169.1
[M+Na-2H]-	150.053646	132.9
[M]+	129.07843142	123.0
[M]-	129.07952858	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe