CID 12846795

1005-28-3

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CN(C)C1=NC=C(S1)C=O
InChI
InChI=1S/C6H8N2OS/c1-8(2)6-7-3-5(4-9)10-6/h3-4H,1-2H3
InChIKey
ZOPJEHPVWLTDJW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

156.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 129.8
[M+Na]+ 179.02496 139.3
[M-H]- 155.02846 134.4
[M+NH4]+ 174.06956 152.5
[M+K]+ 194.99890 138.6
[M+H-H2O]+ 139.03300 123.6
[M+HCOO]- 201.03394 151.4
[M+CH3COO]- 215.04959 179.4
[M+Na-2H]- 177.01041 132.7
[M]+ 156.03519 133.7
[M]- 156.03629 133.7
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