CID 9118365

2-(dimethylamino)-4-methoxy-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CN(C)C1=NC(=C(S1)C=O)OC
InChI
InChI=1S/C7H10N2O2S/c1-9(2)7-8-6(11-3)5(4-10)12-7/h4H,1-3H3
InChIKey
BFWSWWYUZQFTTD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-methoxy-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 137.0
[M+Na]+ 209.035518 146.8
[M-H]- 185.039024 141.8
[M+NH4]+ 204.080123 158.7
[M+K]+ 225.009458 146.3
[M+H-H2O]+ 169.043560 130.8
[M+HCOO]- 231.044501 158.5
[M+CH3COO]- 245.060151 185.5
[M+Na-2H]- 207.020966 138.9
[M]+ 186.04575142 143.1
[M]- 186.04684858 143.1
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.