CID 2763987

2-methyl-2-(morpholin-4-yl)propanal

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)(C=O)N1CCOCC1

InChI

InChI=1S/C8H15NO2/c1-8(2,7-10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3

InChIKey

WWILHZQYNPQALT-UHFFFAOYSA-N

Compound name

2-methyl-2-morpholin-4-ylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6511
Patents: 157.11028 Da
Monoisotopic Mass: 0.0
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]+	158.117556	134.1
[M+Na]+	180.099498	139.6
[M-H]-	156.103004	136.2
[M+NH4]+	175.144103	152.2
[M+K]+	196.073438	140.3
[M+H-H2O]+	140.107540	128.1
[M+HCOO]-	202.108481	151.5
[M+CH3COO]-	216.124131	175.5
[M+Na-2H]-	178.084946	141.5
[M]+	157.10973142	132.2
[M]-	157.11082858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe