CID 23459416

2-(1,3-thiazol-2-yl)propanedial

Structural Information

Molecular Formula
C6H5NO2S
SMILES
C1=CSC(=N1)C(C=O)C=O
InChI
InChI=1S/C6H5NO2S/c8-3-5(4-9)6-7-1-2-10-6/h1-5H
InChIKey
VIEXIVQSNLHWKX-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01138 129.4
[M+Na]+ 177.99332 138.7
[M-H]- 153.99682 132.3
[M+NH4]+ 173.03792 151.3
[M+K]+ 193.96726 137.2
[M+H-H2O]+ 138.00136 123.6
[M+HCOO]- 200.00230 149.0
[M+CH3COO]- 214.01795 172.0
[M+Na-2H]- 175.97877 132.0
[M]+ 155.00355 132.6
[M]- 155.00465 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.