CID 7537478

2,5-dimethyloxazole-4-carbaldehyde

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C)C=O

InChI

InChI=1S/C6H7NO2/c1-4-6(3-8)7-5(2)9-4/h3H,1-2H3

InChIKey

MLYKOGIEABSYKL-UHFFFAOYSA-N

Compound name

2,5-dimethyl-1,3-oxazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 125.047676 Da
Monoisotopic Mass: 0.9
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]+	126.05495	121.9
[M+Na]+	148.03689	134.5
[M+NH4]+	143.08150	130.0
[M+K]+	164.01083	131.3
[M-H]-	124.04040	123.8
[M+Na-2H]-	146.02234	127.1
[M]+	125.04713	124.1
[M]-	125.04822	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe