CID 82416119

2-(ethylamino)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CCNC1=NC=C(S1)C=O
InChI
InChI=1S/C6H8N2OS/c1-2-7-6-8-3-5(4-9)10-6/h3-4H,2H2,1H3,(H,7,8)
InChIKey
FGVAOWFNUPSSTQ-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 129.5
[M+Na]+ 179.02496 138.9
[M-H]- 155.02846 132.5
[M+NH4]+ 174.06956 151.5
[M+K]+ 194.99890 136.7
[M+H-H2O]+ 139.03300 123.5
[M+HCOO]- 201.03394 150.6
[M+CH3COO]- 215.04959 175.9
[M+Na-2H]- 177.01041 133.1
[M]+ 156.03519 132.1
[M]- 156.03629 132.1
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.