CID 581339

82294-70-0

Structural Information

Molecular Formula

SMILES

CC1=C(SC=N1)C=O

InChI

InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3

InChIKey

JJVIEMFQPALZOZ-UHFFFAOYSA-N

Compound name

4-methyl-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 443
Patents: 127.009186 Da
Monoisotopic Mass: 1.1
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]+	128.01646	123.9
[M+Na]+	149.99840	135.7
[M+NH4]+	145.04301	133.0
[M+K]+	165.97234	129.5
[M-H]-	126.00191	125.1
[M+Na-2H]-	147.98385	129.2
[M]+	127.00864	126.3
[M]-	127.00973	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe