CID 20099055

893749-69-4

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CN(C)CC1=CC(=NO1)C=O

InChI

InChI=1S/C7H10N2O2/c1-9(2)4-7-3-6(5-10)8-11-7/h3,5H,4H2,1-2H3

InChIKey

XAIIKHPABHSAAX-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]-1,2-oxazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.07423 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]+	155.08151	131.0
[M+Na]+	177.06345	141.8
[M+NH4]+	172.10805	138.5
[M+K]+	193.03739	139.1
[M-H]-	153.06695	133.3
[M+Na-2H]-	175.04890	136.1
[M]+	154.07368	132.9
[M]-	154.07478	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe