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
2
Annotation Hits

0
References

70
Patents

156.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 129.8
[M+Na]+ 179.024958 139.3
[M-H]- 155.028464 134.4
[M+NH4]+ 174.069563 152.5
[M+K]+ 194.998898 138.6
[M+H-H2O]+ 139.033000 123.6
[M+HCOO]- 201.033941 151.4
[M+CH3COO]- 215.049591 179.4
[M+Na-2H]- 177.010406 132.7
[M]+ 156.03519142 133.7
[M]- 156.03628858 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