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]+ 157.043016 129.5
[M+Na]+ 179.024958 138.9
[M-H]- 155.028464 132.5
[M+NH4]+ 174.069563 151.5
[M+K]+ 194.998898 136.7
[M+H-H2O]+ 139.033000 123.5
[M+HCOO]- 201.033941 150.6
[M+CH3COO]- 215.049591 175.9
[M+Na-2H]- 177.010406 133.1
[M]+ 156.03519142 132.1
[M]- 156.03628858 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.