CID 14598979

74531-15-0

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(SC(=N1)C=O)C
InChI
InChI=1S/C6H7NOS/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3
InChIKey
RRBIYJOEJILQJE-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

141.02484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 124.8
[M+Na]+ 164.014058 136.1
[M-H]- 140.017564 128.5
[M+NH4]+ 159.058663 148.2
[M+K]+ 179.987998 134.2
[M+H-H2O]+ 124.022100 119.8
[M+HCOO]- 186.023041 145.0
[M+CH3COO]- 200.038691 172.3
[M+Na-2H]- 161.999506 127.3
[M]+ 141.02429142 128.7
[M]- 141.02538858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe