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

2
Patents

155.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.011376 129.4
[M+Na]+ 177.993318 138.7
[M-H]- 153.996824 132.3
[M+NH4]+ 173.037923 151.3
[M+K]+ 193.967258 137.2
[M+H-H2O]+ 138.001360 123.6
[M+HCOO]- 200.002301 149.0
[M+CH3COO]- 214.017951 172.0
[M+Na-2H]- 175.978766 132.0
[M]+ 155.00355142 132.6
[M]- 155.00464858 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

patents stripe