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: 1104
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]+	130.08626	125.2
[M+Na]+	152.06820	131.0
[M-H]-	128.07170	127.2
[M+NH4]+	147.11280	144.2
[M+K]+	168.04214	131.9
[M+H-H2O]+	112.07624	118.9
[M+HCOO]-	174.07718	144.8
[M+CH3COO]-	188.09283	169.1
[M+Na-2H]-	150.05365	132.9
[M]+	129.07843	123.0
[M]-	129.07953	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe